 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer03_M11_def2SVPDr.in
 Output=09_L-alanine_conformer03_M11_def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/09_L-alanine/Gau-20495.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20500.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=09_L-alanine_conformer03_M11_def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 26 17:25:08 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer03_M11_def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.234360000000      1.227627000000      0.493636000000
  C                                                -0.619746000000      0.176499000000     -0.427789000000
  C                                                 0.874662000000      0.040013000000     -0.091045000000
  O                                                 1.684560000000      0.876942000000     -0.381380000000
  N                                                -1.288697000000     -1.120012000000     -0.254191000000
  O                                                 1.182025000000     -1.074891000000      0.583386000000
  H                                                -0.668029000000      0.537376000000     -1.458500000000
  H                                                -2.272687000000      1.417776000000      0.215233000000
  H                                                -1.207375000000      0.889403000000      1.531687000000
  H                                                -0.678004000000      2.159964000000      0.419739000000
  H                                                -2.241749000000     -1.012991000000      0.067124000000
  H                                                -1.305328000000     -1.656641000000     -1.112376000000
  H                                                 0.338033000000     -1.576061000000      0.651570000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 26 17:25:09 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526972   0.000000
     3  C    2.490031   1.537947   0.000000
     4  O    3.067365   2.408859   1.200283   0.000000
     5  N    2.464469   1.469208   2.460162   3.583889   0.000000
     6  O    3.338946   2.415539   1.338783   2.234495   2.609222
     7  H    2.146628   1.093128   2.120660   2.609630   2.140683
     8  H    1.091690   2.164823   3.449325   4.038348   2.762058
     9  H    1.092096   2.166353   2.773013   3.467459   2.689558
    10  H    1.088230   2.157737   2.676913   2.805289   3.403729
    11  H    2.493414   2.071405   3.293304   4.380514   1.011437
    12  H    3.302016   2.073423   2.945184   3.986581   1.012289
    13  H    3.218389   2.270203   1.857725   2.982842   1.916934
                    6          7          8          9         10
     6  O    0.000000
     7  H    3.192398   0.000000
     8  H    4.275975   2.480204   0.000000
     9  H    3.235268   3.058764   1.774012   0.000000
    10  H    3.735074   2.482070   1.770785   1.769460   0.000000
    11  H    3.463031   2.684727   2.435472   2.614188   3.554895
    12  H    3.066100   2.310771   3.485738   3.671921   4.160215
    13  H    0.983943   3.151376   3.996162   3.039968   3.878654
                   11         12         13
    11  H    0.000000
    12  H    1.637800   0.000000
    13  H    2.704422   2.412184   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.26D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.234360    1.227627    0.493636
      2          6           0       -0.619746    0.176499   -0.427789
      3          6           0        0.874662    0.040013   -0.091045
      4          8           0        1.684560    0.876942   -0.381380
      5          7           0       -1.288697   -1.120012   -0.254191
      6          8           0        1.182025   -1.074891    0.583386
      7          1           0       -0.668029    0.537376   -1.458500
      8          1           0       -2.272687    1.417776    0.215233
      9          1           0       -1.207375    0.889403    1.531687
     10          1           0       -0.678004    2.159964    0.419739
     11          1           0       -2.241749   -1.012991    0.067124
     12          1           0       -1.305328   -1.656641   -1.112376
     13          1           0        0.338033   -1.576061    0.651570
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.9962844           3.2162425           2.3194998
 Leave Link  202 at Thu Aug 26 17:25:09 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   194 symmetry adapted cartesian basis functions of A   symmetry.
 There are   182 symmetry adapted basis functions of A   symmetry.
   182 basis functions,   268 primitive gaussians,   194 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.8298141574 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 26 17:25:10 2021, MaxMem=  6442450944 cpu:               5.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   182 RedAO= T EigKep=  6.41D-05  NBF=   182
 NBsUse=   182 1.00D-06 EigRej= -1.00D+00 NBFU=   182
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   194   194   194   194   194 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 26 17:25:11 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 26 17:25:11 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer03_M11_def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 26 17:25:12 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442372121 LenY=  6442334044
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.365323166748    
 DIIS: error= 3.27D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.365323166748     IErMin= 1 ErrMin= 3.27D-03
 ErrMax= 3.27D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-03 BMatP= 6.36D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.27D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.440 Goal=   None    Shift=    0.000
 GapD=    0.440 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.00D-03 MaxDP=7.68D-02              OVMax= 1.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.89D-03    CP:  9.65D-01
 E= -323.372131450485     Delta-E=       -0.006808283737 Rises=F Damp=F
 DIIS: error= 5.07D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.372131450485     IErMin= 2 ErrMin= 5.07D-04
 ErrMax= 5.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-04 BMatP= 6.36D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.07D-03
 Coeff-Com: -0.417D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.415D-01 0.104D+01
 Gap=     0.418 Goal=   None    Shift=    0.000
 RMSDP=5.05D-04 MaxDP=1.36D-02 DE=-6.81D-03 OVMax= 5.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.72D-04    CP:  9.62D-01  1.12D+00
 E= -323.372338034367     Delta-E=       -0.000206583883 Rises=F Damp=F
 DIIS: error= 4.86D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -323.372338034367     IErMin= 3 ErrMin= 4.86D-04
 ErrMax= 4.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 1.90D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.86D-03
 Coeff-Com: -0.519D-01 0.482D+00 0.570D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.516D-01 0.479D+00 0.572D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=7.31D-05 MaxDP=2.68D-03 DE=-2.07D-04 OVMax= 2.43D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.21D-05    CP:  9.62D-01  1.12D+00  9.71D-01
 E= -323.372427384840     Delta-E=       -0.000089350473 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.372427384840     IErMin= 4 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-06 BMatP= 1.34D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com: -0.715D-02-0.174D-01 0.149D+00 0.876D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.714D-02-0.174D-01 0.149D+00 0.876D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=3.64D-05 MaxDP=8.84D-04 DE=-8.94D-05 OVMax= 9.42D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.77D-05    CP:  9.62D-01  1.12D+00  1.02D+00  1.06D+00
 E= -323.372434388724     Delta-E=       -0.000007003884 Rises=F Damp=F
 DIIS: error= 4.29D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.372434388724     IErMin= 5 ErrMin= 4.29D-05
 ErrMax= 4.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-06 BMatP= 6.88D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-02-0.525D-01 0.655D-03 0.376D+00 0.673D+00
 Coeff:      0.228D-02-0.525D-01 0.655D-03 0.376D+00 0.673D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=3.72D-04 DE=-7.00D-06 OVMax= 4.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  9.62D-01  1.12D+00  1.03D+00  1.10D+00  1.06D+00
 E= -323.372435640721     Delta-E=       -0.000001251997 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.372435640721     IErMin= 6 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-07 BMatP= 1.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-02-0.201D-01-0.204D-01 0.526D-01 0.285D+00 0.702D+00
 Coeff:      0.183D-02-0.201D-01-0.204D-01 0.526D-01 0.285D+00 0.702D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=4.62D-06 MaxDP=1.54D-04 DE=-1.25D-06 OVMax= 1.27D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.55D-06    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.14D+00
                    CP:  1.15D+00
 E= -323.372435792846     Delta-E=       -0.000000152125 Rises=F Damp=F
 DIIS: error= 3.56D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.372435792846     IErMin= 7 ErrMin= 3.56D-06
 ErrMax= 3.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-08 BMatP= 1.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-03 0.902D-03-0.626D-02-0.330D-01 0.267D-02 0.212D+00
 Coeff-Com:  0.823D+00
 Coeff:      0.225D-03 0.902D-03-0.626D-02-0.330D-01 0.267D-02 0.212D+00
 Coeff:      0.823D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=2.65D-06 MaxDP=8.02D-05 DE=-1.52D-07 OVMax= 4.66D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.66D-06    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.18D+00
                    CP:  1.29D+00  1.19D+00
 E= -323.372435811414     Delta-E=       -0.000000018567 Rises=F Damp=F
 DIIS: error= 1.05D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.372435811414     IErMin= 8 ErrMin= 1.05D-06
 ErrMax= 1.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.73D-10 BMatP= 1.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-03 0.199D-02 0.110D-02-0.109D-01-0.255D-01-0.466D-01
 Coeff-Com:  0.110D+00 0.970D+00
 Coeff:     -0.121D-03 0.199D-02 0.110D-02-0.109D-01-0.255D-01-0.466D-01
 Coeff:      0.110D+00 0.970D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=1.14D-06 MaxDP=3.70D-05 DE=-1.86D-08 OVMax= 2.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.13D-07    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.19D+00
                    CP:  1.35D+00  1.34D+00  1.32D+00
 E= -323.372435813219     Delta-E=       -0.000000001805 Rises=F Damp=F
 DIIS: error= 6.87D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.372435813219     IErMin= 9 ErrMin= 6.87D-07
 ErrMax= 6.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-10 BMatP= 8.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.595D-04 0.629D-03 0.905D-03-0.160D-02-0.852D-02-0.334D-01
 Coeff-Com: -0.228D-01 0.320D+00 0.745D+00
 Coeff:     -0.595D-04 0.629D-03 0.905D-03-0.160D-02-0.852D-02-0.334D-01
 Coeff:     -0.228D-01 0.320D+00 0.745D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=3.34D-07 MaxDP=1.40D-05 DE=-1.81D-09 OVMax= 5.82D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.41D-07    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.19D+00
                    CP:  1.36D+00  1.38D+00  1.44D+00  1.13D+00
 E= -323.372435813406     Delta-E=       -0.000000000187 Rises=F Damp=F
 DIIS: error= 1.72D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.372435813406     IErMin=10 ErrMin= 1.72D-07
 ErrMax= 1.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-11 BMatP= 1.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.257D-05-0.133D-03 0.107D-03 0.119D-02 0.206D-02-0.147D-02
 Coeff-Com: -0.190D-01-0.684D-01 0.179D+00 0.907D+00
 Coeff:      0.257D-05-0.133D-03 0.107D-03 0.119D-02 0.206D-02-0.147D-02
 Coeff:     -0.190D-01-0.684D-01 0.179D+00 0.907D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=6.18D-06 DE=-1.87D-10 OVMax= 2.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.73D-08    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.19D+00
                    CP:  1.37D+00  1.40D+00  1.50D+00  1.29D+00  1.14D+00
 E= -323.372435813433     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 4.50D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -323.372435813433     IErMin=11 ErrMin= 4.50D-08
 ErrMax= 4.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-12 BMatP= 1.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.608D-05-0.851D-04-0.671D-04 0.336D-03 0.120D-02 0.263D-02
 Coeff-Com: -0.116D-02-0.435D-01-0.388D-01 0.159D+00 0.921D+00
 Coeff:      0.608D-05-0.851D-04-0.671D-04 0.336D-03 0.120D-02 0.263D-02
 Coeff:     -0.116D-02-0.435D-01-0.388D-01 0.159D+00 0.921D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=4.14D-08 MaxDP=1.78D-06 DE=-2.66D-11 OVMax= 9.63D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.19D+00
                    CP:  1.37D+00  1.40D+00  1.51D+00  1.34D+00  1.24D+00
                    CP:  1.17D+00
 E= -323.372435813436     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.75D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -323.372435813436     IErMin=12 ErrMin= 1.75D-08
 ErrMax= 1.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-13 BMatP= 1.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.449D-06 0.470D-05-0.189D-04-0.823D-04-0.414D-04 0.410D-03
 Coeff-Com:  0.192D-02 0.161D-02-0.243D-01-0.751D-01 0.139D+00 0.957D+00
 Coeff:      0.449D-06 0.470D-05-0.189D-04-0.823D-04-0.414D-04 0.410D-03
 Coeff:      0.192D-02 0.161D-02-0.243D-01-0.751D-01 0.139D+00 0.957D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=4.42D-07 DE=-3.30D-12 OVMax= 3.69D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.95D-09    CP:  9.62D-01  1.12D+00  1.03D+00  1.11D+00  1.19D+00
                    CP:  1.37D+00  1.40D+00  1.52D+00  1.35D+00  1.25D+00
                    CP:  1.27D+00  1.20D+00
 E= -323.372435813433     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 4.59D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -323.372435813436     IErMin=13 ErrMin= 4.59D-09
 ErrMax= 4.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-14 BMatP= 1.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.554D-06 0.928D-05 0.349D-05-0.510D-04-0.126D-03-0.199D-03
 Coeff-Com:  0.532D-03 0.487D-02-0.833D-03-0.327D-01-0.655D-01 0.198D+00
 Coeff-Com:  0.896D+00
 Coeff:     -0.554D-06 0.928D-05 0.349D-05-0.510D-04-0.126D-03-0.199D-03
 Coeff:      0.532D-03 0.487D-02-0.833D-03-0.327D-01-0.655D-01 0.198D+00
 Coeff:      0.896D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=2.73D-09 MaxDP=5.89D-08 DE= 2.84D-12 OVMax= 1.36D-07

 SCF Done:  E(RM11) =  -323.372435813     A.U. after   13 cycles
            NFock= 13  Conv=0.27D-08     -V/T= 2.0109
 KE= 3.198752189096D+02 PE=-1.256667718366D+03 EE= 3.625902494860D+02
 Leave Link  502 at Thu Aug 26 17:25:56 2021, MaxMem=  6442450944 cpu:             353.4 elap:              44.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   182
 NBasis=   182 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    182 NOA=    24 NOB=    24 NVA=   158 NVB=   158

 **** Warning!!: The largest alpha MO coefficient is  0.32870531D+02

 Leave Link  801 at Thu Aug 26 17:25:57 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3945 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.32D-14 8.33D-09 XBig12= 1.00D+00 2.41D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.32D-14 8.33D-09 XBig12= 1.40D-01 5.81D-02.
     11 vectors produced by pass  2 Test12= 6.32D-14 8.33D-09 XBig12= 1.93D-02 3.52D-02.
     11 vectors produced by pass  3 Test12= 6.32D-14 8.33D-09 XBig12= 1.52D-03 8.02D-03.
     11 vectors produced by pass  4 Test12= 6.32D-14 8.33D-09 XBig12= 4.90D-05 1.61D-03.
     11 vectors produced by pass  5 Test12= 6.32D-14 8.33D-09 XBig12= 1.31D-06 1.91D-04.
     11 vectors produced by pass  6 Test12= 6.32D-14 8.33D-09 XBig12= 2.94D-08 3.09D-05.
     11 vectors produced by pass  7 Test12= 6.32D-14 8.33D-09 XBig12= 5.53D-10 3.74D-06.
     11 vectors produced by pass  8 Test12= 6.32D-14 8.33D-09 XBig12= 9.38D-12 6.11D-07.
      8 vectors produced by pass  9 Test12= 6.32D-14 8.33D-09 XBig12= 1.32D-13 5.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.590998D+02
      2  0.216362D+01  0.574614D+02
      3 -0.420604D+00 -0.235667D+01  0.472893D+02
 Isotropic polarizability for W=    0.093368       54.62 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.360773D+02  0.304846D+01 -0.315899D+01
      2   0.181239D+02  0.852341D+01  0.281676D+01
      3   0.179533D+02 -0.115719D+02  0.342228D+00
      4   0.222817D+02 -0.242514D+02 -0.171339D+02
      5  -0.122693D+01 -0.172608D+02 -0.309451D+02
      6  -0.103691D+02  0.375427D+01  0.795208D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.262320D+01 -0.201579D+01 -0.717330D+01
      2   0.250092D+00 -0.559340D+01 -0.165438D+02
      3   0.798067D-01  0.116006D+02  0.292617D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.126943D+00  0.937503D+00 -0.195239D+02
      2  -0.193206D+01 -0.676475D+01 -0.488984D+02
      3   0.192333D+02  0.423753D+02  0.689170D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.136535D+01  0.317106D+00  0.173704D+01
      2   0.317106D+00  0.108349D+01  0.420394D+00
      3   0.173704D+01  0.420394D+00  0.237826D+00
 OR G Eigenvalues:    -2.4773     0.6751     1.7581  Iso=     0.0147
 Eigenvectors:
   (1)   0.843121  -0.011614  -0.537599
   (2)  -0.322603   0.788932  -0.522985
   (3)   0.430203   0.614370   0.661419
 w=    0.093368 a.u., Optical Rotation Beta=      0.0147 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =        9.29 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   16653 ScalPx= 2.92D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.21D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.05D-14 2.78D-09 XBig12= 1.00D+00 3.53D-01.
     30 vectors produced by pass  1 Test12= 1.05D-14 2.78D-09 XBig12= 4.24D-02 3.23D-02.
     30 vectors produced by pass  2 Test12= 1.05D-14 2.78D-09 XBig12= 9.74D-04 4.79D-03.
     30 vectors produced by pass  3 Test12= 1.05D-14 2.78D-09 XBig12= 1.10D-05 4.85D-04.
     30 vectors produced by pass  4 Test12= 1.05D-14 2.78D-09 XBig12= 1.20D-07 4.22D-05.
     30 vectors produced by pass  5 Test12= 1.05D-14 2.78D-09 XBig12= 9.81D-10 3.15D-06.
     30 vectors produced by pass  6 Test12= 1.05D-14 2.78D-09 XBig12= 6.22D-12 2.54D-07.
     30 vectors produced by pass  7 Test12= 1.05D-14 2.78D-09 XBig12= 4.37D-14 2.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 1.16D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 1.16D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.44D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.590998D+02  0.216362D+01 -0.420604D+00
      2   0.216362D+01  0.574614D+02 -0.235667D+01
      3  -0.420604D+00 -0.235667D+01  0.472893D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.262320D+01 -0.201579D+01 -0.717330D+01
      2   0.250092D+00 -0.559340D+01 -0.165438D+02
      3   0.798067D-01  0.116006D+02  0.292617D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.360773D+02  0.304846D+01 -0.315899D+01
      2   0.181239D+02  0.852341D+01  0.281676D+01
      3   0.179533D+02 -0.115719D+02  0.342228D+00
      4   0.222817D+02 -0.242514D+02 -0.171339D+02
      5  -0.122693D+01 -0.172608D+02 -0.309451D+02
      6  -0.103691D+02  0.375427D+01  0.795208D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.616993D+01 -0.225364D+01  0.158356D+01 -0.859699D+00 -0.321541D+01
      2  -0.225364D+01 -0.326931D+01 -0.918199D+00 -0.321541D+01 -0.252013D+01
      3   0.158356D+01 -0.918199D+00 -0.420095D+00 -0.121953D+01  0.110083D+01
                 6             7             8             9            10 
      1  -0.121953D+01  0.326397D+01 -0.149667D+01 -0.441225D+00 -0.393735D+01
      2   0.110083D+01 -0.149667D+01  0.164116D+01  0.228697D+01  0.416936D+00
      3   0.257822D+01 -0.441225D+00  0.228697D+01 -0.532357D+01 -0.107745D+01
                11            12            13            14            15 
      1   0.416936D+00 -0.107745D+01 -0.633620D+00  0.255673D+01  0.130482D+01
      2   0.246222D+01  0.785365D+00  0.255673D+01  0.671503D+00 -0.985577D-01
      3   0.785365D+00  0.421812D+00  0.130482D+01 -0.985577D-01 -0.299626D+01
                16            17            18            19            20 
      1  -0.228786D+01  0.960818D+00  0.668508D+00  0.697131D+00 -0.179710D+01
      2   0.960818D+00 -0.497089D+00 -0.345095D+01 -0.179710D+01 -0.249675D+01
      3   0.668508D+00 -0.345095D+01  0.540147D+01  0.174941D+01  0.932430D+00
                21            22            23            24            25 
      1   0.174941D+01 -0.358928D+01 -0.245816D+01  0.848881D+00  0.217906D+01
      2   0.932430D+00 -0.245816D+01 -0.193091D+01  0.173040D+00  0.104575D+01
      3  -0.397393D+00  0.848881D+00  0.173040D+00 -0.330916D+00 -0.130353D+00
                26            27            28            29            30 
      1   0.104575D+01 -0.130353D+00  0.870198D+01  0.392686D+01 -0.196985D+01
      2  -0.149905D+00  0.397943D+00  0.392686D+01  0.381382D+01 -0.914543D+00
      3   0.397943D+00 -0.468566D+00 -0.196985D+01 -0.914543D+00  0.202382D+01
                31            32            33            34            35 
      1   0.463764D+01  0.349572D+01 -0.648236D+00 -0.171292D+01 -0.497485D+00
      2   0.349572D+01  0.714351D+01 -0.123851D+01 -0.497485D+00 -0.913709D+00
      3  -0.648236D+00 -0.123851D+01  0.201495D+01  0.270901D+01  0.210558D+01
                36            37            38            39            40 
      1   0.270901D+01  0.459468D+01 -0.604293D+00 -0.607276D+00 -0.940872D+00
      2   0.210558D+01 -0.604293D+00 -0.926929D+00  0.487373D+00 -0.115093D+01
      3  -0.232976D+01 -0.607276D+00  0.487373D+00 -0.157128D+00  0.274808D+00
                41            42            43            44            45 
      1  -0.115093D+01  0.274808D+00 -0.635455D+00  0.893692D+00 -0.132544D+00
      2  -0.305039D+01  0.121158D+01  0.893692D+00  0.305374D+01  0.214638D+01
      3   0.121158D+01  0.208211D+01 -0.132544D+00  0.214638D+01  0.229233D+01
                46            47            48            49            50 
      1   0.617259D+01 -0.965780D+00  0.185265D+01  0.179988D+01  0.230976D+01
      2  -0.965780D+00  0.296945D+01 -0.990136D+00  0.230976D+01 -0.342957D+01
      3   0.185265D+01 -0.990136D+00  0.118891D+01 -0.355247D-01  0.661075D+00
                51            52            53            54            55 
      1  -0.355247D-01  0.548985D+00 -0.887645D+00  0.840205D+00  0.150187D+00
      2   0.661075D+00 -0.887645D+00  0.881915D+00 -0.175038D+01  0.419113D+00
      3  -0.513933D+00  0.840205D+00 -0.175038D+01  0.249331D+01 -0.111694D+01
                56            57            58            59            60 
      1   0.419113D+00 -0.111694D+01  0.629545D+00 -0.509264D+00 -0.943499D-01
      2  -0.470066D+00 -0.149582D+00 -0.509264D+00  0.181237D+01 -0.162079D+01
      3  -0.149582D+00 -0.334129D+00 -0.943499D-01 -0.162079D+01  0.216089D+01
                61            62            63            64            65 
      1  -0.120955D+01 -0.179236D+00 -0.387758D+00 -0.933008D+01  0.255822D+01
      2  -0.179236D+00 -0.203081D+01  0.202495D+01  0.255822D+01 -0.190758D+01
      3  -0.387758D+00  0.202495D+01 -0.805122D+01 -0.701221D+00  0.577723D-01
                66            67            68            69            70 
      1  -0.701221D+00  0.135142D+01 -0.136840D+01  0.295593D+00 -0.198273D+01
      2   0.577723D-01 -0.136840D+01  0.159070D+01 -0.349793D+00  0.624247D+00
      3  -0.135769D+01  0.295593D+00 -0.349793D+00 -0.555717D-02 -0.123295D+01
                71            72            73            74            75 
      1   0.624247D+00 -0.123295D+01 -0.679820D+00  0.575698D-01  0.940301D+00
      2  -0.908929D+00  0.917636D-01  0.575698D-01  0.472432D+00  0.164975D+00
      3   0.917636D-01 -0.228440D+00  0.940301D+00  0.164975D+00  0.799487D-01
                76            77            78            79            80 
      1  -0.443170D+00  0.345494D+00  0.359632D+00  0.118347D+01 -0.269927D-01
      2   0.345494D+00 -0.578307D+00  0.921884D+00 -0.269927D-01  0.150033D+01
      3   0.359632D+00  0.921884D+00 -0.187151D+01 -0.737026D+00 -0.287566D+00
                81            82            83            84            85 
      1  -0.737026D+00  0.116769D+01  0.144603D+01 -0.173107D+00  0.166423D+01
      2  -0.287566D+00  0.144603D+01  0.281415D+01  0.414492D+00  0.164107D+01
      3   0.820783D+01 -0.173107D+00  0.414492D+00  0.813015D+00  0.122014D+00
                86            87            88            89            90 
      1   0.164107D+01  0.122014D+00 -0.460508D+00  0.268141D+00  0.406961D+00
      2   0.730352D+01  0.318465D+00  0.268141D+00 -0.375169D+00  0.854665D+00
      3   0.318465D+00  0.898620D+00  0.406961D+00  0.854665D+00  0.448656D+00
                91            92            93            94            95 
      1  -0.835547D+01 -0.140238D+01  0.108543D+01 -0.164498D+00 -0.635462D+00
      2  -0.140238D+01 -0.159658D+01 -0.164978D+00 -0.635462D+00 -0.250729D+00
      3   0.108543D+01 -0.164978D+00 -0.123433D+01 -0.293688D+00  0.147729D+00
                96            97            98            99           100 
      1  -0.293688D+00  0.231643D+01 -0.550602D-01 -0.852385D+00 -0.504286D+00
      2   0.147729D+00 -0.550602D-01  0.515324D+00 -0.351785D+00 -0.809292D+00
      3  -0.784188D-01 -0.852385D+00 -0.351785D+00  0.566227D+00 -0.598608D+00
               101           102           103           104           105 
      1  -0.809292D+00 -0.598608D+00 -0.972585D+00 -0.754449D+00 -0.688878D+00
      2  -0.249652D+00 -0.388578D+00 -0.754449D+00 -0.357433D+01 -0.214824D+01
      3  -0.388578D+00  0.111375D+00 -0.688878D+00 -0.214824D+01 -0.277986D+01
               106           107           108           109           110 
      1  -0.112386D+01 -0.853172D+00 -0.710679D+00 -0.484719D+01 -0.992245D+00
      2  -0.853172D+00 -0.357259D+01 -0.331226D+01 -0.992245D+00 -0.161520D+01
      3  -0.710679D+00 -0.331226D+01 -0.421862D+01 -0.966898D+00  0.683608D+00
               111           112           113           114           115 
      1  -0.966898D+00 -0.247899D+01 -0.256701D+00 -0.225539D+00 -0.790270D-01
      2   0.683608D+00 -0.256701D+00 -0.318725D+01  0.921295D+00  0.203618D+00
      3  -0.738120D+00 -0.225539D+00  0.921295D+00 -0.115833D+01  0.235867D-03
               116           117 
      1   0.203618D+00  0.235867D-03
      2   0.855734D+00 -0.755311D+00
      3  -0.755311D+00  0.121036D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.365546D+01 -0.825094D+00  0.862631D-01  0.787965D+00 -0.474059D+01
      2  -0.501571D+01  0.334537D+01  0.230737D+01  0.350968D+01  0.274094D+00
      3   0.447877D+01 -0.102645D+02  0.966201D+00 -0.392282D+01 -0.102328D+02
                 6             7             8             9            10 
      1  -0.658991D+01 -0.228514D+00 -0.148217D+00  0.904363D+01  0.457266D+00
      2  -0.298517D+01 -0.235288D+01 -0.240352D+01  0.721695D+01 -0.433568D+01
      3  -0.664141D+00  0.141048D+01  0.163741D+00  0.306543D+01 -0.270979D+01
                11            12            13            14            15 
      1  -0.727410D+00  0.161601D+01  0.554413D+00 -0.191871D+01  0.158486D+01
      2   0.163351D+01  0.330449D+01 -0.110120D+01  0.119029D+01  0.133769D+01
      3  -0.282177D+01 -0.225411D+01  0.286032D+01  0.423394D+01 -0.142837D+01
                16            17            18            19            20 
      1  -0.346780D+00  0.509525D+01 -0.653681D+00  0.190092D+01  0.363295D+00
      2  -0.533315D+01  0.240517D+01 -0.178217D+01  0.385806D+01 -0.313404D+01
      3  -0.104104D+01 -0.189220D+00 -0.195295D+01 -0.255913D+01  0.522063D+01
                21            22            23            24            25 
      1   0.234569D+01 -0.285109D+01  0.747772D+01  0.330613D+01 -0.320614D+01
      2  -0.657075D+01 -0.671031D+01  0.876059D+00 -0.320067D+01 -0.135779D+02
      3   0.147814D+01  0.732163D+01  0.521261D+01  0.119618D+01  0.489405D+01
                26            27            28            29            30 
      1   0.685984D+01 -0.738648D+01 -0.683745D+00 -0.222565D+01 -0.446877D+01
      2   0.104797D+01 -0.124932D+01  0.139595D+01  0.152184D+00  0.916679D+01
      3  -0.101725D+00  0.131987D+01  0.168689D+01 -0.109052D+02  0.777858D+00
                31            32            33            34            35 
      1   0.901187D+00 -0.298303D+01 -0.623378D+01  0.149807D+01  0.271918D+01
      2   0.386668D+01 -0.184109D+01  0.462897D+01  0.185167D+01  0.182305D+01
      3   0.184932D+01 -0.112449D+02  0.859853D+00 -0.125142D+01  0.135333D+01
                36            37            38            39            40 
      1   0.197306D+01 -0.181529D+01  0.217350D+01 -0.799006D+00  0.176642D+01
      2  -0.207165D+01  0.142984D+01 -0.128770D+01  0.332953D+01 -0.843691D+00
      3  -0.340248D+01 -0.102380D+02 -0.659864D+01  0.233488D+01  0.527797D+01
                41            42            43            44            45 
      1   0.496187D+01 -0.216474D+01  0.106385D+01  0.793882D+01  0.519060D+01
      2  -0.266309D+01 -0.251170D+01 -0.391937D+01 -0.348609D+01 -0.265303D+01
      3  -0.184656D+01  0.109413D+01  0.324227D+01  0.121448D+01  0.293786D+01
                46            47            48            49            50 
      1   0.297039D+01  0.236068D+01  0.323435D+01  0.306281D+01 -0.106899D+01
      2  -0.626990D+01 -0.209743D+01  0.479122D+01 -0.606810D+00  0.414329D+00
      3  -0.128719D+02 -0.930396D+01 -0.128927D+01 -0.402260D+01  0.107331D+01
                51            52            53            54            55 
      1  -0.377631D+01  0.261036D+01  0.134102D+01  0.339865D+01  0.613936D-01
      2  -0.742000D+00  0.133158D+01 -0.269746D+01  0.356850D+01  0.668748D+00
      3  -0.227616D+01 -0.271611D+01 -0.207867D+00  0.144475D+01  0.136291D+01
                56            57            58            59            60 
      1   0.881963D-01  0.263936D+00 -0.215336D+00 -0.875850D+00 -0.117967D+01
      2   0.396034D-01  0.221836D+00  0.882680D+00  0.755620D+00 -0.135782D+01
      3  -0.101533D+01 -0.152590D-01  0.134625D+01  0.551323D+00 -0.836529D+00
                61            62            63            64            65 
      1   0.675883D+00  0.237799D+01  0.314415D+01  0.143195D+01 -0.497191D+00
      2  -0.258487D+01 -0.161660D+01  0.433931D+01  0.476942D+01 -0.906946D+00
      3  -0.125743D+01 -0.140241D+01  0.756292D+00 -0.902224D+01 -0.243871D+01
                66            67            68            69            70 
      1   0.250420D+01 -0.912180D+00  0.931404D+00 -0.820460D+00  0.163449D+01
      2   0.499302D+01 -0.135044D+01  0.726188D+00 -0.437692D+00  0.123930D+01
      3  -0.130679D+01  0.126076D+01  0.900727D+00 -0.154576D+00 -0.121378D+01
                71            72            73            74            75 
      1   0.512264D+00  0.373949D+00 -0.133952D+01  0.350981D+00  0.145377D+00
      2  -0.539453D-01  0.123582D+01 -0.976885D+00 -0.483757D-01  0.359122D-01
      3  -0.120681D+01 -0.159366D+01 -0.864461D+00  0.774044D-01  0.121652D+01
                76            77            78            79            80 
      1   0.937430D-01 -0.255333D+01  0.214242D+01  0.651337D+00  0.435461D+01
      2   0.410571D+00 -0.143497D+01  0.240294D+01 -0.239246D+01  0.870970D+00
      3   0.725313D+00 -0.270701D+00  0.157912D+01  0.133891D+01  0.207776D+01
                81            82            83            84            85 
      1  -0.113770D+02  0.157728D+01  0.954393D+00 -0.193311D+01  0.860170D+00
      2  -0.106102D+02 -0.652701D+00 -0.114715D+01  0.116346D-01 -0.111962D+01
      3  -0.146934D+01  0.581668D+01  0.483752D+01 -0.310235D+00  0.696521D+01
                86            87            88            89            90 
      1   0.349167D+01 -0.313340D+01 -0.822179D+00 -0.214522D+00 -0.203558D+00
      2  -0.171792D+01 -0.632862D+00 -0.111115D+01 -0.824841D+00 -0.771146D+00
      3   0.120008D+02  0.545046D+00 -0.977180D+00  0.109037D+00  0.183550D+01
                91            92            93            94            95 
      1   0.295674D+01  0.153354D+00 -0.175020D+01 -0.390896D+00  0.599735D+00
      2  -0.232667D+01 -0.372222D+00  0.378851D+01  0.296859D+00 -0.563353D+00
      3   0.100104D+02 -0.260755D+01 -0.179680D+01 -0.310460D+00  0.965531D+00
                96            97            98            99           100 
      1  -0.235593D+00 -0.931048D+00 -0.692588D-01  0.691203D+00 -0.205017D+00
      2  -0.167687D+00  0.662579D+00  0.434920D+00 -0.142516D+01  0.399477D+00
      3   0.103616D+01 -0.403470D+01  0.165860D+01  0.341016D+00  0.545466D-01
               101           102           103           104           105 
      1  -0.204837D+00  0.201375D+00 -0.117659D+01 -0.203687D+01 -0.466403D+01
      2   0.376160D+00 -0.681109D-01  0.483716D+00  0.270345D+01  0.394504D+01
      3   0.157008D+00 -0.170497D+00  0.157935D+01 -0.367610D+01 -0.158831D+01
               106           107           108           109           110 
      1  -0.109047D+01 -0.265902D+01 -0.620240D+01 -0.365691D+01 -0.196423D+01
      2  -0.875773D+00  0.422044D+01  0.535165D+01  0.684460D+01  0.227031D+01
      3   0.900988D+00 -0.360029D+01 -0.349162D+01  0.137767D+02  0.693235D+01
               111           112           113           114           115 
      1  -0.144611D+01 -0.226914D+01 -0.108304D+00 -0.187832D+01 -0.430143D+00
      2  -0.166863D+01  0.228188D+01  0.128039D+01 -0.279043D+00 -0.248948D+01
      3   0.154743D+01  0.862168D+01  0.341049D+01  0.425380D+00  0.704970D+00
               116           117 
      1   0.622838D+00  0.829856D+00
      2  -0.797786D+00 -0.937298D+00
      3   0.131362D+00  0.209331D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.249940D+02  0.158597D+02 -0.374179D+01  0.145372D+02  0.109003D+02
      2   0.515248D+01 -0.150346D+02  0.532547D+00 -0.132698D+02 -0.153568D+02
      3   0.198415D+02 -0.825166D+00  0.320924D+01 -0.126737D+01  0.445652D+01
      4   0.202513D+02 -0.136683D+01  0.609808D+01  0.340969D+01 -0.466328D+01
      5  -0.315965D+01  0.124838D+01  0.173537D+01  0.231635D+01 -0.522922D+01
      6   0.424368D+01 -0.392436D+01 -0.847216D+00 -0.460045D+01  0.272354D+01
                 6             7             8             9            10 
      1  -0.170118D+01 -0.643051D+01 -0.721865D+00  0.339658D+01  0.615342D+01
      2  -0.186560D+01 -0.948468D-01  0.573273D+00  0.136541D+02 -0.292190D+01
      3   0.356678D+01  0.652536D+01  0.148592D+00 -0.170507D+02 -0.323152D+01
      4  -0.465829D+01  0.101926D+02 -0.694241D+01 -0.814295D+01 -0.849272D+00
      5  -0.609234D+01  0.255236D+01 -0.624628D+01  0.121392D+02  0.778491D-01
      6   0.694139D+01 -0.269085D+01  0.573550D+01 -0.563936D+01 -0.324861D+00
                11            12            13            14            15 
      1   0.164663D+01 -0.285551D+01 -0.597080D+01  0.264621D+01 -0.487123D+01
      2  -0.306299D+01  0.199517D+01  0.369275D+01 -0.248352D+01 -0.226437D+01
      3   0.141636D+01  0.860342D+00  0.227805D+01 -0.162692D+00  0.713560D+01
      4  -0.323256D+01 -0.308065D+01 -0.108951D+02 -0.496390D+00  0.118315D+01
      5  -0.142811D+01 -0.171642D+00 -0.395316D+01  0.493200D+00  0.250762D+01
      6   0.288429D+01 -0.226466D+01  0.284611D+00  0.757407D-01 -0.101744D+02
                16            17            18            19            20 
      1   0.235225D+01 -0.236208D+01  0.790489D+01 -0.156746D+02 -0.225576D+01
      2   0.158507D+01 -0.594055D+01  0.575468D+01  0.761198D+01 -0.158666D+01
      3  -0.393732D+01  0.830263D+01 -0.136596D+02  0.806259D+01  0.384242D+01
      4  -0.439569D+01  0.529171D+01  0.806903D+01 -0.149315D+02 -0.172741D+02
      5  -0.129997D+01  0.589993D+01 -0.806536D+01  0.567207D+01  0.482291D+01
      6   0.320504D+01 -0.332637D+01  0.783624D+01 -0.737089D+00  0.267520D+00
                21            22            23            24            25 
      1   0.274591D+01 -0.144685D+02 -0.274155D+01 -0.104471D+01  0.454583D+01
      2  -0.192701D+01  0.950415D+01 -0.617896D+01 -0.602921D+01 -0.227227D+01
      3  -0.818903D+00  0.496430D+01  0.892051D+01  0.707391D+01 -0.227356D+01
      4   0.471008D+01 -0.156894D+02 -0.803515D+01 -0.674537D+00  0.762307D+01
      5  -0.117255D+02  0.813271D+01  0.149768D+00 -0.576486D+01 -0.216040D+01
      6  -0.281980D+01 -0.789837D+00  0.425315D+01 -0.582571D+01  0.112534D+01
                26            27            28            29            30 
      1  -0.131374D+01 -0.537214D+01  0.386628D+02  0.953585D+01 -0.428860D+01
      2   0.578018D+01 -0.436988D+00 -0.199566D+02  0.471604D-02  0.534511D+01
      3  -0.446644D+01  0.580913D+01 -0.187062D+02 -0.954057D+01 -0.105651D+01
      4  -0.290623D+01 -0.223225D+01  0.248198D+02  0.247587D+02 -0.448049D+01
      5  -0.231291D+00 -0.556533D-01 -0.113427D+02 -0.473553D+01  0.175867D+02
      6   0.392513D+01  0.582260D+01 -0.965589D+00 -0.116334D+01  0.524504D+01
                31            32            33            34            35 
      1   0.128053D+02  0.205435D+01  0.425123D+00 -0.432984D+01  0.967887D+00
      2  -0.314013D+01  0.109147D+02  0.170798D+01  0.388979D+01 -0.286324D+00
      3  -0.966520D+01 -0.129690D+02 -0.213310D+01  0.440054D+00 -0.681563D+00
      4   0.263260D+02  0.271610D+02 -0.449596D+01 -0.378695D+01 -0.323060D+01
      5  -0.467129D+01 -0.523114D+01  0.959733D+01  0.163280D+02  0.787353D+01
      6  -0.252316D+01 -0.229358D+01  0.903896D+01  0.434163D+01  0.737854D+01
                36            37            38            39            40 
      1   0.275923D+01 -0.148961D+02 -0.385709D+01  0.724974D+01  0.184524D+01
      2  -0.692304D+01  0.935489D+01  0.516061D+01 -0.597415D+01  0.148007D+01
      3   0.416382D+01  0.554119D+01 -0.130352D+01 -0.127559D+01 -0.332531D+01
      4   0.861803D+01 -0.757944D+01  0.725435D+01 -0.700527D+00  0.110957D+02
      5  -0.940284D+01  0.466455D+01 -0.239356D+01  0.551042D+01 -0.178152D+01
      6  -0.367822D+01  0.221781D+01 -0.263191D+01  0.156147D+01 -0.920205D+00
                41            42            43            44            45 
      1  -0.386434D+01  0.338124D+01  0.694955D+01  0.267435D+01  0.292059D+01
      2   0.136650D+02 -0.202975D+01 -0.703477D+01 -0.201703D+01 -0.623626D+01
      3  -0.980070D+01 -0.135149D+01  0.852131D-01 -0.657318D+00  0.331567D+01
      4   0.922086D+01 -0.344900D+01 -0.140176D+01 -0.856487D+01 -0.521450D+01
      5  -0.339859D+01 -0.489992D+01  0.389537D+01 -0.662422D+01 -0.497900D+01
      6  -0.835015D+01  0.380502D+00 -0.168509D+01 -0.509587D+01 -0.114882D+02
                46            47            48            49            50 
      1   0.132154D+02  0.478532D+00 -0.566299D+00  0.314835D+01 -0.555147D+01
      2  -0.707597D+01 -0.490959D+01 -0.208543D+01 -0.590283D+01  0.140675D+02
      3  -0.613940D+01  0.443106D+01  0.265173D+01  0.275447D+01 -0.851604D+01
      4  -0.169886D+02  0.154600D+02 -0.562860D+01  0.100766D+02 -0.141520D+02
      5   0.488191D+01 -0.382575D+01  0.104952D+02 -0.235342D+01  0.407610D+01
      6  -0.352211D+01  0.303166D+01 -0.517514D+01  0.127017D+01 -0.443187D+01
                51            52            53            54            55 
      1   0.244396D+01 -0.138017D+01  0.347614D+01 -0.488264D+01 -0.129129D+00
      2   0.477509D+00 -0.118147D+00 -0.226299D+01 -0.457431D+01 -0.272635D+01
      3  -0.292147D+01  0.149831D+01 -0.121315D+01  0.945696D+01  0.285547D+01
      4   0.269405D+01 -0.303699D+01  0.376638D+01 -0.658588D+01 -0.100416D+01
      5  -0.259756D+01  0.907297D+01 -0.578666D+01  0.897701D+01  0.193259D+01
      6   0.100493D+02 -0.326667D+01  0.883330D+01 -0.727252D+01 -0.235750D+01
                56            57            58            59            60 
      1  -0.765742D+00  0.206897D+01  0.975315D+00 -0.559888D+01  0.494134D+01
      2   0.522086D+00 -0.111510D+01 -0.382356D+00  0.108556D+01  0.454611D+00
      3   0.243656D+00 -0.953864D+00 -0.592960D+00  0.451332D+01 -0.539596D+01
      4   0.280619D+01 -0.126470D+01  0.347325D+01 -0.364641D+01  0.250123D+01
      5  -0.142168D+01  0.633844D+01 -0.100364D+01  0.239030D+01 -0.329945D+01
      6  -0.409026D+00  0.112158D+00  0.446716D+00 -0.621873D+01  0.972880D+01
                61            62            63            64            65 
      1   0.964546D-01  0.485552D+01 -0.167321D+02  0.437706D+02 -0.831673D+01
      2  -0.109053D+01  0.222978D+01 -0.139003D+02 -0.165972D+02 -0.550771D+00
      3   0.994074D+00 -0.708530D+01  0.306324D+02 -0.271734D+02  0.886750D+01
      4  -0.824226D+00  0.324653D+01 -0.361968D+01 -0.308145D+02  0.159517D+02
      5   0.526133D+01 -0.279899D+01  0.114834D+02 -0.861620D+00  0.708798D+00
      6  -0.124029D+01  0.773950D+01 -0.127465D+02 -0.196073D+01 -0.231997D+00
                66            67            68            69            70 
      1   0.436814D+01 -0.408893D+01  0.334055D+01 -0.261956D+00  0.746222D+01
      2  -0.106688D+01 -0.198407D+01  0.354217D+01 -0.312632D+00 -0.219392D+01
      3  -0.330126D+01  0.607300D+01 -0.688271D+01  0.574589D+00 -0.526830D+01
      4  -0.223304D+01  0.124129D+02 -0.865785D+01  0.187474D+01 -0.597527D+01
      5   0.739871D+01 -0.129320D+00  0.906008D+00 -0.501288D+00  0.740549D+01
      6  -0.436837D+01  0.602558D+00 -0.299510D+00  0.132912D+01 -0.396662D+01
                71            72            73            74            75 
      1  -0.388658D+00  0.434120D+01  0.270459D+01 -0.151681D+01 -0.295108D+01
      2  -0.141448D+01 -0.397661D+01 -0.361454D+01  0.156426D+01  0.200141D+01
      3   0.180314D+01 -0.364582D+00  0.909953D+00 -0.474510D-01  0.949670D+00
      4   0.452158D+01 -0.345806D+01 -0.204636D+01  0.654114D+00  0.970878D+00
      5  -0.134923D+01  0.224031D+01 -0.239660D+01 -0.655772D+00  0.533499D+01
      6   0.170598D+01 -0.146461D+01  0.832907D+00  0.802424D+00  0.238915D-01
                76            77            78            79            80 
      1  -0.768425D-01 -0.272572D+01  0.454230D+00 -0.266004D+01 -0.118446D+01
      2   0.285371D+00 -0.431311D+00  0.527611D+01  0.308300D+01  0.446154D+01
      3  -0.208528D+00  0.315703D+01 -0.573034D+01 -0.422961D+00 -0.327708D+01
      4   0.585972D-01  0.259721D+01 -0.230852D+01  0.195295D+01 -0.392543D+01
      5  -0.226687D+01 -0.199021D+01  0.443976D+01  0.692420D+01  0.856172D+00
      6   0.250454D+00 -0.861828D+00  0.235960D+01 -0.117970D+01  0.437122D+01
                81            82            83            84            85 
      1  -0.124968D+02 -0.258178D+01 -0.999457D+01 -0.526005D+00 -0.835179D+01
      2  -0.182462D+02  0.639144D+01  0.137353D+02  0.788206D-01  0.967182D+01
      3   0.307430D+02 -0.380966D+01 -0.374074D+01  0.447184D+00 -0.132003D+01
      4   0.152120D+01  0.253412D+01  0.290350D+01 -0.921843D+00  0.491694D+01
      5  -0.200559D+02  0.196549D+01  0.109085D+01 -0.372674D+00  0.166244D+01
      6   0.131452D+02  0.242326D+00  0.250252D+01  0.329400D+01  0.155864D+01
                86            87            88            89            90 
      1  -0.236146D+02 -0.145621D+01  0.652221D+00 -0.108681D+00 -0.441206D+01
      2   0.386135D+02  0.729730D+00 -0.367014D+00 -0.135553D+01  0.294802D+01
      3  -0.149989D+02  0.726476D+00 -0.285207D+00  0.146421D+01  0.146404D+01
      4  -0.604780D+01  0.859192D-01 -0.165133D+01  0.108345D+01  0.659306D+00
      5   0.198556D+01 -0.109465D+01  0.572280D+00 -0.482538D+00 -0.867020D+00
      6   0.538203D+01  0.605303D+01  0.234358D+01  0.621150D+01  0.713456D+00
                91            92            93            94            95 
      1   0.372068D+02  0.392400D+01 -0.588672D+01 -0.871897D+00  0.203015D+01
      2  -0.189645D+02 -0.125046D+00  0.293673D+01  0.162538D+01 -0.193761D+00
      3  -0.182423D+02 -0.379896D+01  0.294999D+01 -0.753482D+00 -0.183639D+01
      4   0.170751D+02  0.845242D+01 -0.165406D+01  0.491538D+01  0.124719D+01
      5  -0.288456D+01  0.405881D+00  0.569976D+01  0.131205D+01 -0.656540D+00
      6  -0.252762D+01  0.595409D+00  0.280844D+01  0.528149D+00 -0.125625D+00
                96            97            98            99           100 
      1   0.122047D+01 -0.878206D+01  0.695591D-01  0.332018D+01  0.132143D+01
      2  -0.930943D+00  0.581555D+01 -0.547562D+00 -0.256092D+01 -0.587165D+00
      3  -0.289529D+00  0.296651D+01  0.478003D+00 -0.759259D+00 -0.734268D+00
      4  -0.290005D+00 -0.385382D+01 -0.755588D+00  0.171058D+01  0.357942D+01
      5  -0.656158D-01  0.509679D+01  0.119698D+01 -0.237319D+01  0.225578D+01
      6   0.127936D+01  0.145955D+01  0.189836D+01 -0.101063D+01  0.252401D+01
               101           102           103           104           105 
      1   0.176408D+01  0.162574D+01  0.159673D+01 -0.724467D+01 -0.463004D+01
      2  -0.487136D+00 -0.228288D+00 -0.297185D+00  0.871085D+01  0.414964D+01
      3  -0.127694D+01 -0.139745D+01 -0.129954D+01 -0.146619D+01  0.480396D+00
      4   0.434657D+01  0.336192D+01  0.522576D+01  0.963666D+01  0.630581D+01
      5   0.301803D+01  0.299768D+01  0.322762D+01  0.675943D+01  0.833220D+01
      6   0.978338D+00  0.392510D+00  0.330175D+01  0.120883D+02  0.124573D+02
               106           107           108           109           110 
      1   0.157594D+01 -0.687619D+01 -0.937639D+01 -0.595975D+01 -0.361732D+01
      2  -0.615524D+00  0.441252D+01  0.174912D+01  0.453354D+01  0.332737D+01
      3  -0.960416D+00  0.246366D+01  0.762726D+01  0.142621D+01  0.289948D+00
      4   0.478814D+01  0.956253D+01  0.814331D+01  0.811780D+01 -0.325275D+01
      5   0.486698D+01  0.978924D+01  0.119806D+02 -0.122573D+01  0.808892D+00
      6   0.314548D+01  0.147242D+02  0.166554D+02  0.233475D+01 -0.270153D+01
               111           112           113           114           115 
      1   0.219672D+01 -0.252187D+01 -0.793791D+01  0.267007D+01  0.228552D+00
      2  -0.212531D+00  0.160168D+01  0.106602D+02 -0.250531D+01 -0.305990D+00
      3  -0.198419D+01  0.920193D+00 -0.272230D+01 -0.164758D+00  0.774381D-01
      4   0.246629D+01  0.377355D+01 -0.200041D+01  0.810799D+00  0.369265D+00
      5  -0.353826D+01 -0.491954D+00 -0.254677D+00 -0.561233D+00  0.584344D+00
      6   0.203768D+01  0.169996D+00 -0.429810D+01  0.367202D+01  0.572204D+00
               116           117 
      1   0.248333D+01 -0.289671D+01
      2  -0.206172D+01  0.122256D+01
      3  -0.421616D+00  0.167416D+01
      4  -0.114705D+01  0.531861D+00
      5   0.669708D-01 -0.144222D+01
      6   0.336039D+01 -0.322965D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 26 17:31:57 2021, MaxMem=  6442450944 cpu:            2872.3 elap:             359.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.49995 -19.44723 -14.64145 -10.57328 -10.50273
 Alpha  occ. eigenvalues --  -10.45576  -1.23196  -1.14072  -1.05560  -0.90133
 Alpha  occ. eigenvalues --   -0.79322  -0.72625  -0.65504  -0.65422  -0.61716
 Alpha  occ. eigenvalues --   -0.58013  -0.55991  -0.53526  -0.51273  -0.49444
 Alpha  occ. eigenvalues --   -0.48310  -0.43237  -0.41981  -0.37755
 Alpha virt. eigenvalues --    0.03713   0.06188   0.06698   0.07549   0.09052
 Alpha virt. eigenvalues --    0.10772   0.11835   0.12668   0.13273   0.14017
 Alpha virt. eigenvalues --    0.16344   0.16696   0.18166   0.18723   0.19892
 Alpha virt. eigenvalues --    0.20590   0.21556   0.24028   0.24350   0.25550
 Alpha virt. eigenvalues --    0.25830   0.28567   0.29645   0.30181   0.31510
 Alpha virt. eigenvalues --    0.32350   0.33770   0.34553   0.35733   0.36190
 Alpha virt. eigenvalues --    0.36634   0.37529   0.38027   0.39334   0.39716
 Alpha virt. eigenvalues --    0.40008   0.41642   0.41912   0.42983   0.44941
 Alpha virt. eigenvalues --    0.45560   0.45753   0.47855   0.49279   0.50392
 Alpha virt. eigenvalues --    0.50753   0.51363   0.52209   0.53264   0.53710
 Alpha virt. eigenvalues --    0.54576   0.55591   0.56369   0.57422   0.59050
 Alpha virt. eigenvalues --    0.59883   0.61306   0.61890   0.63394   0.63930
 Alpha virt. eigenvalues --    0.65787   0.66451   0.69143   0.70098   0.70648
 Alpha virt. eigenvalues --    0.74454   0.74492   0.76144   0.78968   0.80690
 Alpha virt. eigenvalues --    0.81760   0.82363   0.84166   0.84406   0.87443
 Alpha virt. eigenvalues --    0.92530   0.95390   0.97048   1.00261   1.05166
 Alpha virt. eigenvalues --    1.05883   1.06407   1.07768   1.09264   1.11120
 Alpha virt. eigenvalues --    1.12970   1.14250   1.19290   1.22250   1.23934
 Alpha virt. eigenvalues --    1.25845   1.27985   1.30732   1.36381   1.38866
 Alpha virt. eigenvalues --    1.42582   1.50317   1.54099   1.56586   1.59559
 Alpha virt. eigenvalues --    1.64409   1.67884   1.70205   1.71599   1.73240
 Alpha virt. eigenvalues --    1.76234   1.79960   1.81637   1.82923   1.84455
 Alpha virt. eigenvalues --    1.89521   1.93759   1.96827   1.97447   2.00050
 Alpha virt. eigenvalues --    2.01699   2.04021   2.06883   2.07395   2.08774
 Alpha virt. eigenvalues --    2.13413   2.14105   2.18044   2.19598   2.20786
 Alpha virt. eigenvalues --    2.24712   2.28893   2.30539   2.36245   2.37768
 Alpha virt. eigenvalues --    2.39341   2.43345   2.45237   2.51245   2.55641
 Alpha virt. eigenvalues --    2.60104   2.65869   2.69682   2.72077   2.88941
 Alpha virt. eigenvalues --    2.92080   2.96504   2.97200   3.03808   3.05067
 Alpha virt. eigenvalues --    3.06269   3.11734   3.15877   3.21926   3.22548
 Alpha virt. eigenvalues --    3.24663   3.35349   3.42153   3.52714   3.61064
 Alpha virt. eigenvalues --    3.66919   3.89079   4.00788
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.242527   0.437367  -0.016686  -0.006844  -0.017925  -0.006247
     2  C    0.437367   5.616217  -0.210291  -0.015853   0.038424  -0.082365
     3  C   -0.016686  -0.210291   5.546187   0.435883  -0.064988   0.288451
     4  O   -0.006844  -0.015853   0.435883   7.824463   0.011967   0.004427
     5  N   -0.017925   0.038424  -0.064988   0.011967   6.982172  -0.021635
     6  O   -0.006247  -0.082365   0.288451   0.004427  -0.021635   7.795540
     7  H    0.006877   0.291818   0.008068  -0.020264  -0.084300  -0.007144
     8  H    0.344945   0.029052  -0.007279   0.007038   0.012589   0.003470
     9  H    0.311017   0.121336  -0.015855  -0.001702  -0.031347   0.001885
    10  H    0.317801   0.022792  -0.015557  -0.005333   0.012859  -0.001847
    11  H   -0.051711   0.021598   0.003101  -0.001206   0.150571   0.003398
    12  H    0.011022   0.121196   0.010783  -0.001741   0.243470  -0.004924
    13  H   -0.002153  -0.052962   0.105102  -0.017896  -0.021545   0.233736
               7          8          9         10         11         12
     1  C    0.006877   0.344945   0.311017   0.317801  -0.051711   0.011022
     2  C    0.291818   0.029052   0.121336   0.022792   0.021598   0.121196
     3  C    0.008068  -0.007279  -0.015855  -0.015557   0.003101   0.010783
     4  O   -0.020264   0.007038  -0.001702  -0.005333  -0.001206  -0.001741
     5  N   -0.084300   0.012589  -0.031347   0.012859   0.150571   0.243470
     6  O   -0.007144   0.003470   0.001885  -0.001847   0.003398  -0.004924
     7  H    0.886754  -0.043704   0.011807   0.007768   0.072866  -0.081299
     8  H   -0.043704   0.697940  -0.027803  -0.040302  -0.017580   0.007176
     9  H    0.011807  -0.027803   0.618519  -0.021199   0.004257  -0.000416
    10  H    0.007768  -0.040302  -0.021199   0.665140   0.006329  -0.003752
    11  H    0.072866  -0.017580   0.004257   0.006329   0.809678  -0.174151
    12  H   -0.081299   0.007176  -0.000416  -0.003752  -0.174151   0.791296
    13  H    0.018327  -0.001675   0.001173   0.001461   0.010685  -0.025414
              13
     1  C   -0.002153
     2  C   -0.052962
     3  C    0.105102
     4  O   -0.017896
     5  N   -0.021545
     6  O    0.233736
     7  H    0.018327
     8  H   -0.001675
     9  H    0.001173
    10  H    0.001461
    11  H    0.010685
    12  H   -0.025414
    13  H    0.465568
 Mulliken charges:
               1
     1  C    0.430010
     2  C   -0.338331
     3  C   -0.066919
     4  O   -0.212940
     5  N   -0.210312
     6  O   -0.206744
     7  H   -0.067573
     8  H    0.036133
     9  H    0.028327
    10  H    0.053838
    11  H    0.162165
    12  H    0.106754
    13  H    0.285592
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.548309
     2  C   -0.405904
     3  C   -0.066919
     4  O   -0.212940
     5  N    0.058607
     6  O    0.078847
 Electronic spatial extent (au):  <R**2>=            571.1528
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.4502    Y=             -1.3080    Z=             -0.6480  Tot=              5.6423
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.3875   YY=            -36.3217   ZZ=            -35.1559
   XY=             -0.7761   XZ=              1.0795   YZ=              2.8132
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.0991   YY=              0.9667   ZZ=              2.1325
   XY=             -0.7761   XZ=              1.0795   YZ=              2.8132
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -20.1960  YYY=             -7.1919  ZZZ=             -2.4025  XYY=             -5.7601
  XXY=             -6.9249  XXZ=             -0.3555  XZZ=             -1.4995  YZZ=             -3.7172
  YYZ=             -1.2682  XYZ=              0.6230
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -372.9676 YYYY=           -237.5271 ZZZZ=            -88.6573 XXXY=              6.8260
 XXXZ=              2.5447 YYYX=              3.5619 YYYZ=              3.5917 ZZZX=              3.2822
 ZZZY=              1.4925 XXYY=           -108.3349 XXZZ=            -80.1404 YYZZ=            -52.8836
 XXYZ=              5.9521 YYXZ=              6.4317 ZZXY=              3.3279
 N-N= 2.508298141574D+02 E-N=-1.256667717525D+03  KE= 3.198752189096D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 26 17:31:57 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.04538836D+00-5.32798870D-01-2.41207447D-01
 Polarizability= 5.53894139D+01 2.07466857D+00 5.36253798D+01
                -3.70774911D-01-2.08194124D+00 4.34536877D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2115    0.2103        1.0787    1.0818
 2     -0.2115   -0.2103        1.1767    1.1783       -0.8211   -0.8192
 3     -1.0787   -1.0818        5.9091    5.9053       -1.1781   -1.1783
 4     -1.1767   -1.1783       -0.0000    0.0000       -1.0777   -1.0818
 5     -5.0880   -5.0860        1.0777    1.0818        0.2122    0.2103
 6      1.1781    1.1783       -0.2122   -0.2103        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.6309   -0.6309        3.2454    3.2454
 2     -3.5350   -3.5350        0.0000    0.0000        3.2454    3.2454
 3     -3.5350   -3.5350       -0.6309   -0.6309        0.0000    0.0000
 4     -0.6309   -0.6309        3.5350    3.5350       -2.4577   -2.4577
 5     -3.2454   -3.2454       17.7158   17.7158       -3.5350   -3.5350
 6    -15.2581  -15.2581        3.2454    3.2454        0.6309    0.6309
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0086    0.0000       -0.9028   -0.8412       -4.3175   -4.3272
 2      0.8992    0.8412       -4.6337   -4.7133        3.1518    3.2769
 3      4.4504    4.3272      -23.5580  -23.6211        4.6770    4.7133
 4      4.7005    4.7133       -0.0193    0.0000        4.4547    4.3272
 5     20.5105   20.3442       -4.3166   -4.3272       -0.8378   -0.8412
 6     -4.6148   -4.7133        0.6973    0.8412       -0.0881    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1399    0.0000       -7.0792   -7.0935        1.7407    1.7657
 2      6.8649    7.0935       -4.8353   -4.9431       16.3498   16.4332
 3     -1.7554   -1.7657        0.7898    0.6059        4.5693    4.9431
 4      5.1018    4.9431       -0.4035    0.0000       -2.0237   -1.7657
 5    -17.1596  -17.0391        1.8689    1.7657       -7.1271   -7.0935
 6     -4.9705   -4.9431        7.4353    7.0935        0.2126    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0733    0.1706      -14.0773  -14.3297       -5.1211   -4.9812
 2      6.5744    6.6937      -14.6547  -14.6203       -5.3155   -4.9812
 3      6.6406    6.6937      -14.2429  -14.3297       -6.2544   -5.9758
 4     -0.1953    0.2907       -6.2352   -6.5231       13.6688   13.2756
 5     -1.1175   -0.9946       14.4192   14.0373        6.3415    6.5231
 6    -27.5942  -27.3129        1.5772    0.9946       -0.0355   -0.2907
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2270   -0.0011   -0.0010   -0.0006    5.3769    7.6607
 Low frequencies ---   71.0656  239.9752  256.0351
 Diagonal vibrational polarizability:
       17.3564557      12.5954481       9.1215929
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0626               239.9752               256.0351
 Red. masses --      3.8742                 1.3821                 1.5419
 Frc consts  --      0.0115                 0.0469                 0.0596
 IR Inten    --      1.0987                 1.2856                 1.4789
 RamAct Fr= 1--      0.8318                 0.4198                 0.2807
  Dep-P Fr= 1--      0.7332                 0.5957                 0.5430
  Dep-U Fr= 1--      0.8460                 0.7466                 0.7038
 Alpha2 Fr= 1--      0.0002                 0.0012                 0.0011
 Beta2  Fr= 1--      0.1173                 0.0522                 0.0329
 AlphaG Fr= 1--      0.0010                -0.0028                -0.0044
 Gamma2 Fr= 1--      0.1803                 0.0190                -0.1087
 Delta2 Fr= 1--      0.1190                -0.0408                 0.0045
 Raman1 Fr= 1--       3.327                  1.679                  1.123
 ROA1   Fr= 1--      21.114                  0.522                -10.290
 CID1   Fr= 1--       6.345                  0.311                 -9.163
 Raman2 Fr= 1--       1.408                  0.627                  0.395
 ROA2   Fr= 1--       3.375                  0.784                 -2.644
 CID2   Fr= 1--       2.397                  1.250                 -6.691
 Raman3 Fr= 1--       2.815                  1.254                  0.790
 ROA3   Fr= 1--      21.114                  0.522                -10.290
 CID3   Fr= 1--       7.500                  0.417                -13.019
 RC180  Fr= 1--       0.692                  0.493                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.12   0.19     0.12  -0.01   0.01    -0.12   0.03  -0.01
     2   6    -0.00   0.05  -0.01    -0.01  -0.03  -0.06    -0.00   0.05   0.05
     3   6    -0.01   0.01  -0.03    -0.02  -0.01  -0.02     0.01   0.01   0.02
     4   8     0.05  -0.11  -0.21    -0.04   0.04   0.05     0.06  -0.05  -0.01
     5   7     0.02   0.02  -0.16    -0.01  -0.02  -0.03     0.05   0.03   0.05
     6   8    -0.08   0.14   0.21    -0.04   0.02   0.03    -0.01  -0.05  -0.07
     7   1    -0.02   0.22   0.05    -0.05  -0.03  -0.05     0.01   0.05   0.04
     8   1    -0.02  -0.12   0.27    -0.04  -0.31   0.43    -0.22  -0.31   0.12
     9   1     0.07  -0.28   0.13     0.66   0.20   0.06     0.13   0.22   0.05
    10   1    -0.05  -0.08   0.30    -0.12   0.10  -0.41    -0.40   0.18  -0.26
    11   1    -0.09  -0.01  -0.48     0.01  -0.01   0.04    -0.11   0.02  -0.41
    12   1     0.32  -0.01  -0.15    -0.08  -0.01  -0.04     0.48  -0.14   0.15
    13   1    -0.08   0.15   0.24    -0.04  -0.00  -0.03    -0.05   0.04   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    282.7451               339.0367               392.7301
 Red. masses --      1.3973                 3.4037                 2.9360
 Frc consts  --      0.0658                 0.2305                 0.2668
 IR Inten    --     27.8476                12.0435                 1.1059
 RamAct Fr= 1--      0.3783                 0.5184                 0.8633
  Dep-P Fr= 1--      0.7491                 0.2538                 0.7285
  Dep-U Fr= 1--      0.8566                 0.4048                 0.8429
 Alpha2 Fr= 1--      0.0000                 0.0061                 0.0003
 Beta2  Fr= 1--      0.0540                 0.0350                 0.1213
 AlphaG Fr= 1--     -0.0005                 0.0008                -0.0002
 Gamma2 Fr= 1--      0.2804                 0.0882                 0.1797
 Delta2 Fr= 1--      0.1931                 0.0995                -0.0869
 Raman1 Fr= 1--       1.513                  2.074                  3.453
 ROA1   Fr= 1--      33.092                 11.652                 14.473
 CID1   Fr= 1--      21.867                  5.619                  4.191
 Raman2 Fr= 1--       0.648                  0.420                  1.455
 ROA2   Fr= 1--       5.184                  1.320                  5.008
 CID2   Fr= 1--       7.998                  3.146                  3.441
 Raman3 Fr= 1--       1.296                  0.839                  2.911
 ROA3   Fr= 1--      33.092                 11.652                 14.473
 CID3   Fr= 1--      25.529                 13.880                  4.972
 RC180  Fr= 1--       0.713                 -0.190                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01   0.00    -0.06   0.04  -0.02     0.04   0.20   0.02
     2   6     0.01   0.04   0.02     0.01  -0.03   0.09    -0.04   0.02   0.14
     3   6     0.03   0.02   0.01     0.02  -0.06   0.09    -0.07  -0.02   0.08
     4   8     0.09  -0.04  -0.03    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07
     5   7     0.05  -0.00  -0.03    -0.19   0.07  -0.14     0.17  -0.13  -0.11
     6   8    -0.04   0.01   0.01     0.27  -0.03   0.07    -0.03  -0.05   0.01
     7   1    -0.01   0.02   0.02     0.18   0.05   0.11     0.00   0.05   0.15
     8   1    -0.15  -0.22   0.04    -0.11  -0.20   0.00     0.08   0.35  -0.02
     9   1     0.01   0.05   0.02     0.05   0.25   0.05    -0.01   0.44   0.10
    10   1    -0.28   0.09  -0.06    -0.24   0.12  -0.24     0.22   0.08  -0.19
    11   1     0.26  -0.09   0.61    -0.17   0.19  -0.12     0.17  -0.43  -0.01
    12   1    -0.47   0.25  -0.17    -0.30   0.24  -0.24     0.21   0.15  -0.29
    13   1    -0.05  -0.02  -0.19     0.42  -0.21   0.17    -0.02  -0.09  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    532.4147               639.0061               744.7541
 Red. masses --      4.9058                 4.1232                 4.9450
 Frc consts  --      0.8193                 0.9920                 1.6160
 IR Inten    --      2.0497                 7.1743                14.8971
 RamAct Fr= 1--      3.6054                 1.5286                 2.2116
  Dep-P Fr= 1--      0.1705                 0.7500                 0.0909
  Dep-U Fr= 1--      0.2914                 0.8571                 0.1666
 Alpha2 Fr= 1--      0.0529                 0.0000                 0.0396
 Beta2  Fr= 1--      0.1751                 0.2184                 0.0614
 AlphaG Fr= 1--      0.0048                -0.0000                 0.0499
 Gamma2 Fr= 1--      0.3231                -0.6410                -1.2295
 Delta2 Fr= 1--      0.0638                 0.0897                -0.0135
 Raman1 Fr= 1--      14.422                  6.114                  8.847
 ROA1   Fr= 1--      33.060                -58.663               -118.468
 CID1   Fr= 1--       2.292                 -9.594                -13.391
 Raman2 Fr= 1--       2.101                  2.620                  0.737
 ROA2   Fr= 1--       7.243                -16.101                -29.401
 CID2   Fr= 1--       3.448                 -6.144                -39.898
 Raman3 Fr= 1--       4.202                  5.241                  1.474
 ROA3   Fr= 1--      33.060                -58.663               -118.468
 CID3   Fr= 1--       7.868                -11.193                -80.382
 RC180  Fr= 1--      -0.417                  0.714                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10   0.04     0.05  -0.07  -0.02     0.07  -0.11  -0.10
     2   6    -0.22  -0.07   0.03     0.15  -0.13   0.21    -0.05   0.01  -0.04
     3   6     0.02   0.10  -0.08     0.15   0.12   0.12    -0.19   0.24   0.41
     4   8     0.28  -0.07   0.11     0.06   0.16  -0.13     0.02  -0.14  -0.06
     5   7    -0.17  -0.22  -0.05    -0.15  -0.10  -0.01     0.01   0.04  -0.02
     6   8     0.06   0.16  -0.06    -0.17  -0.03  -0.04     0.03   0.05  -0.14
     7   1    -0.39  -0.08   0.04     0.24  -0.14   0.21     0.33  -0.16  -0.12
     8   1    -0.00   0.39   0.13     0.10  -0.15  -0.24     0.01   0.11   0.27
     9   1     0.00   0.26   0.09    -0.10   0.21   0.07     0.34  -0.33  -0.17
    10   1     0.23  -0.07  -0.15     0.03  -0.07  -0.19     0.23  -0.20  -0.01
    11   1    -0.23  -0.29  -0.18    -0.21   0.21  -0.30     0.06  -0.06   0.16
    12   1    -0.03  -0.12  -0.12    -0.14   0.11  -0.15     0.01  -0.10   0.08
    13   1     0.17   0.03   0.02    -0.35   0.21  -0.20     0.08   0.02   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    802.2192               845.8360               874.2559
 Red. masses --      2.8268                 1.3684                 1.2854
 Frc consts  --      1.0718                 0.5768                 0.5789
 IR Inten    --      9.7925                80.6785                78.9541
 RamAct Fr= 1--      8.2458                 2.1718                 1.0981
  Dep-P Fr= 1--      0.0317                 0.2876                 0.2856
  Dep-U Fr= 1--      0.0615                 0.4468                 0.4443
 Alpha2 Fr= 1--      0.1701                 0.0231                 0.0118
 Beta2  Fr= 1--      0.0845                 0.1617                 0.0813
 AlphaG Fr= 1--     -0.0651                 0.0731                -0.0563
 Gamma2 Fr= 1--      0.1078                -0.2653                 0.0853
 Delta2 Fr= 1--      0.1964                -0.2384                 0.2709
 Raman1 Fr= 1--      32.983                  8.687                  4.393
 ROA1   Fr= 1--      16.631                -33.104                 16.861
 CID1   Fr= 1--       0.504                 -3.811                  3.838
 Raman2 Fr= 1--       1.014                  1.941                  0.976
 ROA2   Fr= 1--       1.015                 -4.461                 -0.119
 CID2   Fr= 1--       1.001                 -2.299                 -0.122
 Raman3 Fr= 1--       2.028                  3.881                  1.952
 ROA3   Fr= 1--      16.631                -33.104                 16.861
 CID3   Fr= 1--       8.199                 -8.529                  8.639
 RC180  Fr= 1--      -0.877                 -0.106                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.06  -0.02     0.02  -0.06   0.00    -0.02   0.06   0.02
     2   6     0.11  -0.03   0.12    -0.01  -0.05   0.07     0.04   0.02  -0.05
     3   6    -0.16  -0.02  -0.09    -0.01  -0.02  -0.04    -0.01   0.00   0.00
     4   8    -0.03  -0.13   0.08    -0.00  -0.00   0.03    -0.01   0.00   0.01
     5   7     0.06  -0.01   0.05    -0.00   0.09  -0.08     0.02  -0.10   0.01
     6   8    -0.03   0.18  -0.08    -0.00   0.02  -0.04     0.01  -0.02  -0.03
     7   1     0.01   0.05   0.15    -0.02   0.13   0.13     0.08  -0.08  -0.08
     8   1     0.11  -0.28  -0.35     0.07  -0.04  -0.17    -0.05   0.01   0.12
     9   1    -0.16   0.12   0.04    -0.10   0.21   0.09     0.04  -0.11  -0.04
    10   1    -0.07   0.01  -0.10     0.08  -0.11  -0.21    -0.09   0.12   0.19
    11   1    -0.03   0.37  -0.29     0.13  -0.23   0.36    -0.00   0.22  -0.11
    12   1    -0.14   0.44  -0.24     0.11  -0.23   0.14    -0.28   0.20  -0.18
    13   1     0.21  -0.16  -0.04    -0.15   0.35   0.59    -0.14   0.34   0.72
                     13                     14                     15
                      A                      A                      A
 Frequencies --    941.4244              1015.9197              1060.1932
 Red. masses --      1.8242                 1.5005                 1.6996
 Frc consts  --      0.9526                 0.9124                 1.1256
 IR Inten    --     37.4900                 1.0380                33.3234
 RamAct Fr= 1--      2.9237                 2.4090                 3.3844
  Dep-P Fr= 1--      0.4256                 0.6838                 0.2373
  Dep-U Fr= 1--      0.5971                 0.8122                 0.3836
 Alpha2 Fr= 1--      0.0197                 0.0028                 0.0415
 Beta2  Fr= 1--      0.2910                 0.3261                 0.2164
 AlphaG Fr= 1--      0.0169                 0.0027                -0.0265
 Gamma2 Fr= 1--      0.8381                -0.4818                -0.1286
 Delta2 Fr= 1--      0.2947                 0.0532                -0.6639
 Raman1 Fr= 1--      11.695                  9.636                 13.537
 ROA1   Fr= 1--      89.889                -44.547                -33.595
 CID1   Fr= 1--       7.686                 -4.623                 -2.482
 Raman2 Fr= 1--       3.492                  3.913                  2.596
 ROA2   Fr= 1--      17.757                -11.987                  2.224
 CID2   Fr= 1--       5.086                 -3.063                  0.857
 Raman3 Fr= 1--       6.983                  7.826                  5.193
 ROA3   Fr= 1--      89.889                -44.547                -33.595
 CID3   Fr= 1--      12.873                 -5.692                 -6.469
 RC180  Fr= 1--       0.194                  0.624                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.12  -0.07    -0.11  -0.00   0.10     0.09  -0.04   0.05
     2   6    -0.15   0.03   0.04     0.05  -0.10  -0.08    -0.02   0.11  -0.10
     3   6     0.03   0.02  -0.02    -0.01   0.01   0.02    -0.05   0.08   0.05
     4   8     0.02   0.04  -0.01    -0.00  -0.01  -0.00     0.01   0.01  -0.02
     5   7     0.08   0.06   0.05     0.06   0.02  -0.02    -0.01  -0.08   0.02
     6   8     0.02  -0.07   0.04    -0.01   0.01  -0.01     0.02  -0.07   0.03
     7   1    -0.32   0.03   0.05     0.10   0.08  -0.03    -0.34   0.48   0.05
     8   1     0.01   0.19   0.06    -0.05   0.36   0.11     0.18  -0.26  -0.45
     9   1     0.11   0.03  -0.03    -0.02   0.36   0.21    -0.27   0.26   0.14
    10   1     0.26  -0.31  -0.29     0.20  -0.21  -0.27    -0.13   0.07  -0.17
    11   1    -0.02   0.19  -0.23     0.10   0.55  -0.07    -0.01   0.10  -0.01
    12   1    -0.06   0.56  -0.28    -0.23  -0.25   0.15    -0.15  -0.17   0.07
    13   1    -0.04   0.04   0.16     0.03  -0.05  -0.08     0.04  -0.08   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1131.6660              1206.6474              1272.5746
 Red. masses --      2.4284                 2.4347                 1.4646
 Frc consts  --      1.8324                 2.0886                 1.3974
 IR Inten    --     11.8124                15.7688                 3.0975
 RamAct Fr= 1--      1.7270                 4.9171                 3.3532
  Dep-P Fr= 1--      0.7055                 0.7059                 0.3137
  Dep-U Fr= 1--      0.8273                 0.8276                 0.4776
 Alpha2 Fr= 1--      0.0013                 0.0038                 0.0330
 Beta2  Fr= 1--      0.2381                 0.6782                 0.2669
 AlphaG Fr= 1--      0.0016                -0.0031                 0.0062
 Gamma2 Fr= 1--      0.3064                -0.3780                -0.9320
 Delta2 Fr= 1--      0.6384                -0.1143                 0.3944
 Raman1 Fr= 1--       6.908                 19.669                 13.413
 ROA1   Fr= 1--      49.845                -39.950                -76.852
 CID1   Fr= 1--       7.216                 -2.031                 -5.730
 Raman2 Fr= 1--       2.857                  8.139                  3.203
 ROA2   Fr= 1--       2.247                 -8.158                -25.523
 CID2   Fr= 1--       0.786                 -1.002                 -7.969
 Raman3 Fr= 1--       5.715                 16.278                  6.405
 ROA3   Fr= 1--      49.845                -39.950                -76.852
 CID3   Fr= 1--       8.722                 -2.454                -11.998
 RC180  Fr= 1--       0.655                  0.655                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.09  -0.07     0.02  -0.02   0.08    -0.03  -0.04   0.07
     2   6     0.07   0.25   0.05    -0.06  -0.00  -0.14     0.07   0.03  -0.07
     3   6     0.06  -0.10  -0.01     0.16  -0.14   0.15    -0.07   0.06  -0.06
     4   8    -0.04  -0.02   0.02    -0.06  -0.04   0.01     0.03   0.02  -0.00
     5   7    -0.06  -0.11   0.03    -0.01   0.03   0.05    -0.05   0.01   0.05
     6   8     0.01   0.06  -0.02     0.02   0.11  -0.06    -0.01  -0.04   0.02
     7   1     0.36   0.51   0.12    -0.06  -0.16  -0.19     0.48  -0.25  -0.20
     8   1    -0.05   0.29   0.16     0.08  -0.03  -0.17     0.05   0.12  -0.11
     9   1     0.25  -0.00  -0.05    -0.23   0.26   0.18    -0.02   0.23   0.16
    10   1     0.26  -0.29  -0.21    -0.09   0.03  -0.13     0.06  -0.11  -0.19
    11   1    -0.06  -0.09   0.04    -0.10  -0.26  -0.10    -0.10  -0.46   0.05
    12   1    -0.10  -0.20   0.08     0.08   0.35  -0.17     0.17   0.32  -0.15
    13   1    -0.07   0.13  -0.09    -0.28   0.46  -0.25     0.14  -0.22   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1336.3115              1361.4278              1407.1613
 Red. masses --      1.5282                 1.3474                 1.3486
 Frc consts  --      1.6079                 1.4714                 1.5734
 IR Inten    --     10.3129                33.3786               150.5979
 RamAct Fr= 1--      1.9419                 4.0421                 1.9134
  Dep-P Fr= 1--      0.7419                 0.4360                 0.3689
  Dep-U Fr= 1--      0.8518                 0.6072                 0.5389
 Alpha2 Fr= 1--      0.0003                 0.0262                 0.0158
 Beta2  Fr= 1--      0.2757                 0.4091                 0.1719
 AlphaG Fr= 1--      0.0019                -0.0257                 0.0032
 Gamma2 Fr= 1--      0.7070                 0.0483                 0.1204
 Delta2 Fr= 1--      0.1745                -1.0494                 0.1414
 Raman1 Fr= 1--       7.768                 16.168                  7.653
 ROA1   Fr= 1--      73.451                -28.940                 16.089
 CID1   Fr= 1--       9.456                 -1.790                  2.102
 Raman2 Fr= 1--       3.308                  4.909                  2.062
 ROA2   Fr= 1--      15.571                  9.555                  1.759
 CID2   Fr= 1--       4.707                  1.947                  0.853
 Raman3 Fr= 1--       6.617                  9.818                  4.125
 ROA3   Fr= 1--      73.451                -28.940                 16.089
 CID3   Fr= 1--      11.101                 -2.948                  3.901
 RC180  Fr= 1--       0.704                  0.214                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.02    -0.01   0.03  -0.03    -0.05   0.08   0.06
     2   6    -0.19   0.00   0.03    -0.00  -0.13  -0.06     0.02  -0.04  -0.01
     3   6     0.00  -0.02  -0.04     0.01  -0.01   0.02    -0.05   0.06  -0.04
     4   8     0.02   0.02   0.00     0.01   0.02  -0.01    -0.01  -0.03   0.01
     5   7     0.05  -0.01  -0.00    -0.00   0.01   0.05    -0.01  -0.00   0.01
     6   8     0.00  -0.00   0.01    -0.03   0.01  -0.01     0.06  -0.03   0.03
     7   1     0.87   0.02  -0.03     0.18   0.82   0.24     0.07   0.14   0.05
     8   1     0.05  -0.14  -0.07    -0.07   0.01   0.16    -0.02  -0.31  -0.26
     9   1    -0.18  -0.04   0.01    -0.02  -0.04  -0.05     0.18  -0.38  -0.11
    10   1    -0.12   0.09  -0.06    -0.01   0.05   0.11     0.32  -0.17  -0.27
    11   1     0.04   0.21  -0.07    -0.05  -0.21   0.00    -0.03  -0.04  -0.02
    12   1    -0.15  -0.12   0.07     0.07   0.25  -0.10     0.02   0.08  -0.04
    13   1    -0.04   0.06  -0.06     0.10  -0.14   0.10    -0.30   0.44  -0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.3936              1498.0989              1501.6765
 Red. masses --      1.4122                 1.0424                 1.0582
 Frc consts  --      1.6645                 1.3783                 1.4059
 IR Inten    --    216.1815                 6.6874                 8.1589
 RamAct Fr= 1--      1.4004                 5.9968                 4.3879
  Dep-P Fr= 1--      0.2284                 0.7499                 0.7494
  Dep-U Fr= 1--      0.3719                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0176                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0868                 0.8566                 0.6265
 AlphaG Fr= 1--      0.0077                -0.0014                 0.0006
 Gamma2 Fr= 1--      0.0867                -0.9634                -0.1472
 Delta2 Fr= 1--     -0.1675                 0.2897                -0.4123
 Raman1 Fr= 1--       5.602                 23.987                 17.552
 ROA1   Fr= 1--       2.965                -83.218                -27.325
 CID1   Fr= 1--       0.529                 -3.469                 -1.557
 Raman2 Fr= 1--       1.042                 10.279                  7.519
 ROA2   Fr= 1--       3.421                -25.440                 -0.235
 CID2   Fr= 1--       3.284                 -2.475                 -0.031
 Raman3 Fr= 1--       2.083                 20.559                 15.037
 ROA3   Fr= 1--       2.965                -83.218                -27.325
 CID3   Fr= 1--       1.423                 -4.048                 -1.817
 RC180  Fr= 1--      -0.256                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06    -0.01  -0.03   0.04    -0.05  -0.01  -0.01
     2   6     0.03  -0.03   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.00
     3   6    -0.06   0.08  -0.06     0.01  -0.00   0.00     0.01  -0.01   0.01
     4   8    -0.01  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.01  -0.00
     5   7    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00   0.00
     6   8     0.07  -0.04   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1     0.06   0.08   0.04    -0.01   0.06   0.04     0.06   0.01  -0.01
     8   1     0.00   0.30   0.26     0.20   0.53  -0.38     0.05  -0.17  -0.41
     9   1    -0.09   0.39   0.10     0.38  -0.28  -0.07     0.57   0.35   0.09
    10   1    -0.27   0.15   0.34    -0.46   0.23  -0.19     0.16  -0.08   0.54
    11   1    -0.01   0.00   0.02     0.01   0.02   0.02     0.00   0.03  -0.02
    12   1     0.06   0.06  -0.03     0.03   0.01  -0.01    -0.01  -0.01   0.01
    13   1    -0.31   0.46  -0.32    -0.00   0.00   0.01     0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.3199              1842.0558              3035.7013
 Red. masses --      1.0924                 9.5048                 1.0458
 Frc consts  --      1.7721                19.0020                 5.6782
 IR Inten    --     38.7651               320.7162                10.8740
 RamAct Fr= 1--      3.7169                12.2997               217.8433
  Dep-P Fr= 1--      0.6041                 0.2579                 0.0274
  Dep-U Fr= 1--      0.7532                 0.4100                 0.0534
 Alpha2 Fr= 1--      0.0100                 0.1426                 4.5395
 Beta2  Fr= 1--      0.4666                 0.8405                 1.9382
 AlphaG Fr= 1--     -0.0154                 0.0104                 0.4048
 Gamma2 Fr= 1--     -0.6080                 0.3954                 0.9522
 Delta2 Fr= 1--     -0.3270                -0.3466                 0.6796
 Raman1 Fr= 1--      14.868                 49.199                871.373
 ROA1   Fr= 1--     -68.830                 26.866                113.153
 CID1   Fr= 1--      -4.630                  0.546                  0.130
 Raman2 Fr= 1--       5.599                 10.085                 23.259
 ROA2   Fr= 1--     -11.975                 12.262                 17.415
 CID2   Fr= 1--      -2.139                  1.216                  0.749
 Raman3 Fr= 1--      11.198                 20.171                 46.517
 ROA3   Fr= 1--     -68.830                 26.866                113.153
 CID3   Fr= 1--      -6.146                  1.332                  2.432
 RC180  Fr= 1--       0.506                 -0.180                 -0.893
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.04
     2   6    -0.02   0.01  -0.02    -0.04  -0.02   0.00     0.00  -0.01   0.03
     3   6     0.00  -0.01   0.01     0.50   0.48  -0.16    -0.00  -0.00   0.00
     4   8     0.00   0.00  -0.00    -0.31  -0.30   0.10     0.00   0.00  -0.00
     5   7    -0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.06  -0.03   0.00     0.00  -0.00   0.00
     7   1     0.04   0.02  -0.02     0.16   0.03  -0.02    -0.02   0.13  -0.39
     8   1    -0.01  -0.04  -0.00    -0.00  -0.07  -0.05    -0.52   0.09  -0.15
     9   1    -0.02   0.00   0.01     0.01  -0.00   0.01     0.03  -0.21   0.61
    10   1     0.03  -0.02  -0.01     0.06  -0.02  -0.00     0.17   0.28  -0.03
    11   1     0.19   0.52   0.44    -0.00  -0.01   0.03    -0.00  -0.00  -0.00
    12   1     0.66   0.19  -0.15     0.01   0.01  -0.00    -0.00   0.00   0.01
    13   1     0.01  -0.02   0.00     0.30  -0.34   0.24    -0.00   0.00  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3040.1381              3097.6657              3133.8202
 Red. masses --      1.0751                 1.1028                 1.0995
 Frc consts  --      5.8546                 6.2347                 6.3622
 IR Inten    --     22.9439                23.5526                 6.6228
 RamAct Fr= 1--     41.6475                54.9607                50.7154
  Dep-P Fr= 1--      0.7221                 0.6543                 0.5994
  Dep-U Fr= 1--      0.8386                 0.7910                 0.7495
 Alpha2 Fr= 1--      0.0200                 0.0942                 0.1415
 Beta2  Fr= 1--      5.8210                 7.2460                 6.3353
 AlphaG Fr= 1--     -0.0137                 0.1079                -0.0935
 Gamma2 Fr= 1--     -0.1166                 3.1886                -2.0422
 Delta2 Fr= 1--     -0.9012                 3.5253                -1.5589
 Raman1 Fr= 1--     166.590                219.843                202.862
 ROA1   Fr= 1--     -40.036                418.910               -245.936
 CID1   Fr= 1--      -0.240                  1.905                 -1.212
 Raman2 Fr= 1--      69.852                 86.952                 76.024
 ROA2   Fr= 1--       4.410                 48.323                -36.542
 CID2   Fr= 1--       0.063                  0.556                 -0.481
 Raman3 Fr= 1--     139.705                173.904                152.048
 ROA3   Fr= 1--     -40.036                418.910               -245.936
 CID3   Fr= 1--      -0.287                  2.409                 -1.617
 RC180  Fr= 1--       0.677                  0.582                  0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00    -0.06   0.03  -0.07    -0.06  -0.07   0.02
     2   6    -0.00   0.02  -0.07    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.05  -0.28   0.84     0.01  -0.05   0.15    -0.00   0.01  -0.04
     8   1    -0.36   0.06  -0.10     0.67  -0.11   0.18     0.23  -0.05   0.07
     9   1     0.01  -0.05   0.17     0.01  -0.22   0.65    -0.02   0.08  -0.26
    10   1     0.11   0.17  -0.02    -0.00   0.02  -0.02     0.47   0.79  -0.06
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3453.6614              3510.3946              3587.2423
 Red. masses --      1.0641                 1.0494                 1.0949
 Frc consts  --      7.4779                 7.6193                 8.3011
 IR Inten    --    246.2172                 0.7138                 9.6433
 RamAct Fr= 1--     68.0153               106.5865                47.5664
  Dep-P Fr= 1--      0.0874                 0.0913                 0.7448
  Dep-U Fr= 1--      0.1607                 0.1673                 0.8537
 Alpha2 Fr= 1--      1.2281                 1.9063                 0.0042
 Beta2  Fr= 1--      1.8218                 2.9717                 6.7681
 AlphaG Fr= 1--      0.0176                -0.2406                -0.0349
 Gamma2 Fr= 1--     -0.2456                 1.7881                -5.6370
 Delta2 Fr= 1--     -1.3341                 3.0146                -0.9450
 Raman1 Fr= 1--     272.061                426.346                190.266
 ROA1   Fr= 1--     -66.271                268.123               -571.394
 CID1   Fr= 1--      -0.244                  0.629                 -3.003
 Raman2 Fr= 1--      21.861                 35.661                 81.217
 ROA2   Fr= 1--       4.779                 18.798               -127.728
 CID2   Fr= 1--       0.219                  0.527                 -1.573
 Raman3 Fr= 1--      43.722                 71.321                162.434
 ROA3   Fr= 1--     -66.271                268.123               -571.394
 CID3   Fr= 1--      -1.516                  3.759                 -3.518
 RC180  Fr= 1--      -0.679                 -0.665                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.01  -0.00  -0.00    -0.04  -0.03  -0.03    -0.05   0.03   0.06
     6   8    -0.05  -0.03   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   1    -0.00  -0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1     0.09  -0.01  -0.03     0.61  -0.07  -0.24     0.70  -0.08  -0.24
    12   1    -0.00   0.04   0.07    -0.02   0.40   0.62    -0.01  -0.35  -0.56
    13   1     0.81   0.56  -0.11    -0.10  -0.07   0.01    -0.02  -0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   361.21667 561.13343 778.07344
           X            0.99918  -0.04047  -0.00213
           Y            0.04053   0.99832   0.04146
           Z            0.00045  -0.04151   0.99914
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23978     0.15436     0.11132
 Rotational constants (GHZ):           4.99628     3.21624     2.31950
 Zero-point vibrational energy     284278.0 (Joules/Mol)
                                   67.94406 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.24   345.27   368.38   406.81   487.80
          (Kelvin)            565.05   766.03   919.39  1071.54  1154.21
                             1216.97  1257.86  1354.50  1461.68  1525.38
                             1628.21  1736.10  1830.95  1922.65  1958.79
                             2024.59  2035.00  2155.43  2160.58  2387.39
                             2650.31  4367.70  4374.08  4456.85  4508.87
                             4969.05  5050.67  5161.24
 
 Zero-point correction=                           0.108276 (Hartree/Particle)
 Thermal correction to Energy=                    0.114858
 Thermal correction to Enthalpy=                  0.115802
 Thermal correction to Gibbs Free Energy=         0.078008
 Sum of electronic and zero-point Energies=           -323.796661
 Sum of electronic and thermal Energies=              -323.790078
 Sum of electronic and thermal Enthalpies=            -323.789134
 Sum of electronic and thermal Free Energies=         -323.826929
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.074             23.295             79.545
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.558
 Vibrational             70.297             17.333             13.615
 Vibration     1          0.598              1.968              4.124
 Vibration     2          0.657              1.779              1.803
 Vibration     3          0.666              1.753              1.689
 Vibration     4          0.682              1.706              1.517
 Vibration     5          0.719              1.597              1.217
 Vibration     6          0.760              1.486              0.990
 Vibration     7          0.887              1.178              0.582
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.131520D-35        -35.881009        -82.619077
 Total V=0       0.836255D+14         13.922339         32.057369
 Vib (Bot)       0.280111D-48        -48.552670       -111.796654
 Vib (Bot)    1  0.290185D+01          0.462675          1.065348
 Vib (Bot)    2  0.817096D+00         -0.087727         -0.201998
 Vib (Bot)    3  0.760083D+00         -0.119139         -0.274328
 Vib (Bot)    4  0.678993D+00         -0.168134         -0.387144
 Vib (Bot)    5  0.548017D+00         -0.261206         -0.601450
 Vib (Bot)    6  0.456240D+00         -0.340806         -0.784735
 Vib (Bot)    7  0.299708D+00         -0.523302         -1.204948
 Vib (V=0)       0.178106D+02          1.250678          2.879792
 Vib (V=0)    1  0.344461D+01          0.537140          1.236810
 Vib (V=0)    2  0.145794D+01          0.163739          0.377024
 Vib (V=0)    3  0.140979D+01          0.149156          0.343444
 Vib (V=0)    4  0.134323D+01          0.128149          0.295075
 Vib (V=0)    5  0.124184D+01          0.094065          0.216592
 Vib (V=0)    6  0.117687D+01          0.070729          0.162860
 Vib (V=0)    7  0.108294D+01          0.034606          0.079684
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.142159D+06          5.152773         11.864698
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3           3333                                         1      1   11  1111 1  1 1  1 1                                   
     5  5 4           1000                                         8      6   54  4433 2  2 1  0 0 9  888 7   6   5    33 222        
     8  1 5           3943                                         4      5   09  1063 7  0 3  6 1 4  740 4   3   3    93 854     7  
     7  0 4           4806                                         2      9   28  4716 3  7 2  0 6 1  462 5   9   2    39 360     1  
 
     X  X X           XXXX                                         X      X   XX  XXXX X  X X  X X X  XXX X   X   X    XX XXX     X  
          X                                                        X      X       XXX          X   X  XX                  X          
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                  XX                             
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              XX                                                 
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001164   -0.000000886    0.000001415
      2        6           0.000016490    0.000020053    0.000004374
      3        6          -0.000007848    0.000042400   -0.000024156
      4        8          -0.000004338   -0.000006686   -0.000000567
      5        7           0.000011045   -0.000025000    0.000006469
      6        8          -0.000010862   -0.000025158    0.000015845
      7        1          -0.000005428   -0.000000338    0.000000884
      8        1          -0.000001419   -0.000002172    0.000001096
      9        1          -0.000001571    0.000003068   -0.000002079
     10        1           0.000000703    0.000000149   -0.000002611
     11        1          -0.000004210    0.000003792    0.000000261
     12        1          -0.000001060    0.000001901   -0.000004464
     13        1           0.000007333   -0.000011123    0.000003533
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042400 RMS     0.000011661
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.560449D+00
      2  0.390114D-01  0.528359D+00
      3  0.257305D-01 -0.484977D-01  0.523877D+00
      4 -0.956741D-01  0.181657D-01  0.230134D-01  0.449421D+00
      5  0.367352D-01 -0.117455D+00 -0.422128D-01  0.506987D-02  0.477556D+00
      6  0.362255D-01 -0.383800D-01 -0.117902D+00 -0.258494D-02 -0.518976D-01
      7 -0.197095D-01  0.178730D-01  0.671031D-02 -0.137951D+00  0.547164D-02
      8  0.246513D-01 -0.482219D-02  0.560729D-02  0.278348D-01 -0.726638D-01
      9  0.231860D-01 -0.140194D-02  0.829652D-02 -0.238542D-01 -0.377183D-02
     10  0.521506D-03 -0.381037D-02 -0.189045D-02 -0.271805D-01 -0.308966D-01
     11 -0.739015D-03 -0.305251D-02 -0.217968D-02 -0.150939D-01  0.295821D-02
     12 -0.283159D-02 -0.275400D-03 -0.213304D-03 -0.177216D-02  0.275395D-02
     13  0.499935D-02  0.974924D-02 -0.215037D-02 -0.103127D+00 -0.642390D-01
     14 -0.170145D-01 -0.343644D-01 -0.565609D-03 -0.279652D-01 -0.164781D+00
     15 -0.115233D-01 -0.230453D-01  0.217886D-02  0.167306D-01 -0.521200D-02
     16 -0.107439D-02 -0.381690D-03 -0.218114D-02 -0.108058D-01  0.234136D-01
     17 -0.155777D-03  0.182825D-02  0.114377D-02  0.421169D-02 -0.160925D-01
     18 -0.470625D-02 -0.507752D-03 -0.435883D-02 -0.939478D-02  0.221661D-01
     19  0.100633D-02 -0.305459D-02  0.146393D-01 -0.502546D-01  0.340778D-02
     20 -0.697502D-03  0.674794D-02 -0.246419D-01  0.445224D-02 -0.691881D-01
     21 -0.814681D-03  0.356653D-02 -0.204071D-01 -0.177092D-01  0.747975D-01
     22 -0.281579D+00  0.409734D-01 -0.659513D-01 -0.145814D-01  0.172700D-02
     23  0.401166D-01 -0.539943D-01  0.128690D-01  0.242346D-01 -0.749459D-02
     24 -0.680543D-01  0.124323D-01 -0.663586D-01  0.229069D-01 -0.533432D-02
     25 -0.492184D-01  0.328751D-02 -0.896851D-02 -0.127825D-02 -0.493158D-02
     26  0.236920D-02 -0.747641D-01  0.803155D-01 -0.606825D-04  0.625680D-02
     27 -0.807778D-02  0.785230D-01 -0.279549D+00  0.158661D-02  0.566729D-02
     28 -0.119652D+00 -0.122256D+00  0.101919D-01  0.652159D-02  0.115959D-01
     29 -0.117696D+00 -0.244759D+00  0.164585D-01 -0.106863D-01 -0.189200D-01
     30  0.112882D-01  0.185693D-01 -0.486029D-01 -0.118613D-01 -0.165290D-01
     31  0.277090D-02  0.188198D-02  0.458267D-03 -0.154162D-01  0.493498D-02
     32 -0.170575D-02  0.241419D-02  0.916698D-04 -0.338057D-01  0.656224D-03
     33 -0.115046D-02 -0.187741D-02  0.183167D-02  0.410841D-02  0.391169D-02
     34 -0.111072D-02 -0.387599D-03  0.769839D-03 -0.329065D-03 -0.442098D-02
     35 -0.466462D-02 -0.549700D-02  0.152519D-02  0.381286D-03 -0.184367D-01
     36  0.498649D-03  0.124844D-02  0.244973D-03 -0.646518D-03  0.112314D-01
     37 -0.172818D-02 -0.105210D-02 -0.371777D-03  0.654387D-03  0.121324D-01
     38 -0.210102D-03 -0.641168D-03  0.867469D-04  0.326164D-02 -0.239523D-02
     39  0.229457D-03 -0.353940D-03  0.962391D-03 -0.522844D-03  0.442960D-02
                6             7             8             9            10 
      6  0.572846D+00
      7 -0.194268D-01  0.739504D+00
      8 -0.230330D-02  0.260050D+00  0.717733D+00
      9 -0.960729D-01 -0.410551D-01 -0.208645D+00  0.335275D+00
     10  0.932502D-02 -0.428298D+00 -0.300762D+00  0.919644D-01  0.441275D+00
     11  0.811933D-02 -0.311842D+00 -0.384627D+00  0.104719D+00  0.363061D+00
     12  0.165181D-01  0.971746D-01  0.106351D+00 -0.115222D+00 -0.115269D+00
     13  0.295704D-01 -0.214668D-01 -0.246705D-01 -0.859476D-03 -0.107825D-01
     14  0.204497D-01 -0.821869D-02 -0.108228D-01  0.437226D-03 -0.166040D-02
     15 -0.878021D-01 -0.192594D-02  0.478769D-02 -0.996432D-03  0.136792D-02
     16 -0.222509D-01 -0.149029D+00  0.285125D-01 -0.350012D-01  0.269225D-01
     17  0.204211D-01  0.765286D-01 -0.193140D+00  0.910266D-01 -0.271386D-01
     18  0.793529D-02 -0.612742D-01  0.807043D-01 -0.113095D+00  0.176107D-01
     19 -0.192824D-01 -0.212651D-02  0.967707D-02 -0.337060D-01  0.439914D-03
     20  0.745080D-01  0.304952D-02 -0.218734D-02  0.803205D-02 -0.827161D-03
     21 -0.277109D+00  0.728953D-03  0.495704D-02 -0.934757D-02 -0.249128D-03
     22 -0.278767D-02  0.142636D-02  0.814352D-03  0.324797D-02 -0.407820D-03
     23  0.423867D-02 -0.224273D-02 -0.356699D-02 -0.379835D-02  0.969923D-03
     24  0.373795D-02 -0.896958D-03 -0.345841D-02 -0.341758D-02  0.786540D-03
     25  0.146461D-01  0.135627D-02 -0.117048D-02  0.171035D-02 -0.653554D-03
     26 -0.240707D-01 -0.129055D-02  0.134335D-02 -0.238631D-03 -0.830574D-04
     27 -0.211518D-01 -0.195481D-02  0.121756D-02 -0.794758D-03  0.688124D-03
     28 -0.261241D-02  0.757642D-03  0.182719D-02 -0.756104D-03 -0.547325D-03
     29  0.358232D-02 -0.262340D-02 -0.287859D-02  0.101332D-02  0.457655D-03
     30  0.158670D-02 -0.586394D-03 -0.522573D-03  0.909177D-03 -0.165404D-03
     31 -0.738830D-03  0.109714D-02 -0.239025D-02  0.129542D-02 -0.220295D-02
     32  0.116608D-01  0.836646D-03 -0.637440D-02  0.288192D-02 -0.250647D-02
     33 -0.456551D-02 -0.178495D-02  0.529688D-03 -0.151773D-02 -0.124949D-02
     34 -0.159644D-01  0.412098D-03 -0.321361D-02 -0.350815D-03 -0.921065D-03
     35 -0.290751D-01  0.243167D-05 -0.796591D-03 -0.259547D-03 -0.179899D-03
     36  0.498207D-02 -0.150475D-03 -0.160099D-02  0.272185D-03  0.122847D-03
     37 -0.411863D-02  0.140269D-01 -0.211609D-01  0.141788D-01  0.183521D-02
     38  0.274677D-02 -0.375945D-01 -0.371965D-01  0.100051D-01  0.337616D-02
     39 -0.300279D-02  0.244417D-01  0.123752D-01 -0.428908D-02 -0.304167D-02
               11            12            13            14            15 
     11  0.457067D+00
     12 -0.157169D+00  0.950587D-01
     13 -0.435375D-02  0.767549D-03  0.577479D+00
     14  0.235514D-02 -0.295639D-03  0.635867D-01  0.410176D+00
     15 -0.181746D-02  0.260672D-02 -0.152347D+00  0.204758D+00  0.469734D+00
     16 -0.426883D-01  0.262795D-01 -0.180993D-01  0.269298D-02 -0.637952D-02
     17 -0.774144D-01  0.443804D-01 -0.119441D-01  0.675786D-02 -0.412182D-02
     18  0.411179D-01 -0.375856D-02 -0.122274D-02  0.513389D-03  0.456193D-02
     19  0.371480D-03  0.364106D-02 -0.947111D-03 -0.117487D-01  0.169965D-01
     20  0.305041D-03 -0.153853D-02 -0.514445D-02 -0.204801D-01  0.262623D-01
     21 -0.129726D-02  0.232149D-02  0.148010D-02  0.258115D-02  0.289192D-02
     22  0.196080D-03 -0.377174D-03  0.178209D-02 -0.825651D-03 -0.206970D-03
     23  0.153325D-02  0.597457D-03  0.640189D-03  0.240254D-02  0.176759D-03
     24  0.726363D-03  0.522819D-03  0.981642D-04  0.178309D-02  0.269262D-03
     25  0.598701D-04 -0.401066D-03  0.190513D-03 -0.421136D-03 -0.111760D-02
     26  0.861572D-04  0.523108D-04  0.110900D-03  0.218241D-02  0.718070D-03
     27 -0.138958D-03  0.270958D-03 -0.344934D-03  0.728519D-03  0.199700D-02
     28 -0.323562D-03 -0.126365D-04 -0.730117D-03  0.258874D-02  0.214552D-02
     29  0.227245D-02  0.165925D-03  0.177390D-02 -0.234411D-02 -0.419019D-02
     30  0.547027D-03 -0.451021D-03  0.181930D-02 -0.370472D-02 -0.199069D-02
     31 -0.104788D-02  0.190697D-04 -0.384646D+00  0.291168D-01  0.137962D+00
     32  0.313490D-03 -0.772619D-03  0.474960D-01 -0.534599D-01 -0.408491D-01
     33 -0.103188D-02  0.648598D-03  0.998909D-01 -0.290754D-01 -0.637677D-01
     34  0.387371D-03  0.255584D-03 -0.506859D-01 -0.280652D-01 -0.557394D-02
     35 -0.753917D-04  0.369383D-03 -0.136311D-01 -0.132207D+00 -0.156284D+00
     36  0.359025D-03 -0.309661D-03  0.183224D-01 -0.195113D+00 -0.323069D+00
     37  0.120133D-01 -0.747329D-02  0.603302D-02 -0.206582D-02  0.387171D-02
     38 -0.172187D-02  0.538057D-02  0.625953D-03 -0.541436D-02 -0.118269D-02
     39  0.804580D-02  0.200743D-02  0.497556D-02 -0.249692D-02 -0.661445D-02
               16            17            18            19            20 
     16  0.483601D+00
     17  0.122018D+00  0.404096D+00
     18  0.392701D-01 -0.168951D+00  0.135054D+00
     19 -0.550254D-02  0.398707D-02  0.184888D-03  0.572173D-01
     20  0.176248D-02  0.849562D-03 -0.566179D-03 -0.244680D-02  0.856019D-01
     21 -0.159201D-02 -0.183991D-03  0.263743D-03  0.154302D-01 -0.819194D-01
     22 -0.255078D-03  0.744234D-03 -0.726431D-03  0.517176D-03 -0.388113D-03
     23  0.694227D-03 -0.365163D-03  0.136476D-02 -0.104295D-02  0.951075D-03
     24  0.951225D-03 -0.672525D-03  0.172250D-02 -0.782390D-04  0.103491D-02
     25 -0.861133D-04  0.880618D-04 -0.539976D-03 -0.328341D-03  0.232693D-02
     26 -0.197080D-03 -0.238256D-03  0.138920D-03  0.198246D-02 -0.305857D-02
     27  0.489219D-03 -0.882175D-03  0.955924D-03  0.193198D-02 -0.330931D-02
     28 -0.195970D-03 -0.392072D-03  0.557719D-03  0.499259D-03 -0.434125D-03
     29  0.639322D-03  0.826376D-03 -0.494141D-03 -0.105004D-03  0.824768D-03
     30  0.153742D-03  0.389671D-03 -0.879678D-04 -0.596102D-03  0.521071D-03
     31 -0.393622D-03 -0.331712D-04 -0.629271D-03  0.123687D-03  0.801240D-03
     32  0.165229D-02  0.224819D-02  0.447821D-03 -0.124682D-02 -0.193085D-02
     33 -0.341481D-02 -0.221225D-02 -0.768484D-03  0.120746D-02  0.115411D-02
     34 -0.183105D-02  0.131875D-02  0.787720D-03  0.596208D-03 -0.660169D-03
     35  0.150498D-02 -0.298556D-03 -0.758967D-03  0.146664D-02  0.221104D-02
     36 -0.836890D-03  0.102435D-02  0.593428D-03 -0.251422D-05  0.692359D-03
     37 -0.323251D+00 -0.169233D+00  0.200824D-01 -0.124080D-02 -0.179408D-02
     38 -0.139623D+00 -0.129057D+00  0.248246D-01 -0.124766D-02 -0.646333D-03
     39  0.451270D-02  0.186375D-01 -0.290181D-01 -0.366068D-03 -0.229454D-03
               21            22            23            24            25 
     21  0.298577D+00
     22  0.323976D-03  0.306885D+00
     23  0.487868D-03 -0.471483D-01  0.564758D-01
     24  0.124411D-02  0.713182D-01 -0.103569D-01  0.691509D-01
     25  0.181616D-02  0.511726D-03  0.999566D-02 -0.295394D-01  0.487674D-01
     26 -0.310500D-02 -0.247645D-03 -0.245514D-02  0.397720D-02 -0.518837D-02
     27 -0.814158D-03 -0.338819D-03  0.230840D-02 -0.678292D-02  0.643921D-02
     28 -0.291946D-03 -0.144373D-01 -0.259655D-01  0.271808D-02  0.662800D-03
     29 -0.174333D-03  0.326417D-02  0.684052D-02 -0.691045D-03 -0.411826D-02
     30  0.374573D-03 -0.429984D-02 -0.811186D-02 -0.235810D-03  0.163256D-01
     31 -0.143132D-03  0.305628D-03 -0.705004D-03 -0.673338D-03 -0.179508D-04
     32  0.313607D-03  0.105530D-02 -0.871977D-03  0.352570D-03 -0.659915D-04
     33 -0.142553D-03 -0.208353D-03  0.284752D-03  0.522596D-03 -0.652619D-03
     34  0.723583D-03  0.235537D-03 -0.173066D-03  0.106727D-03 -0.183030D-03
     35  0.413390D-03  0.620857D-04  0.272877D-03  0.134698D-03 -0.153149D-03
     36  0.196827D-02  0.347080D-04 -0.167525D-04 -0.651958D-04  0.184370D-04
     37  0.297061D-03 -0.402220D-03  0.626320D-03  0.356395D-03  0.276911D-03
     38 -0.437111D-03 -0.226916D-03  0.272083D-03  0.721012D-04  0.290942D-03
     39  0.178703D-03 -0.283433D-04 -0.437772D-04 -0.310036D-03  0.263345D-03
               26            27            28            29            30 
     26  0.779937D-01
     27 -0.842900D-01  0.307186D+00
     28  0.272286D-02 -0.839832D-05  0.126425D+00
     29 -0.748942D-02  0.641211D-03  0.129389D+00  0.266566D+00
     30  0.264117D-01 -0.842803D-03 -0.121140D-01 -0.164601D-01  0.498584D-01
     31 -0.526466D-03 -0.566611D-03 -0.595904D-04  0.644193D-03  0.307467D-03
     32  0.558889D-05 -0.383319D-03  0.436254D-03  0.212235D-03  0.234325D-03
     33  0.444882D-04 -0.587866D-03  0.116377D-03 -0.184020D-03 -0.934590D-03
     34  0.143295D-03 -0.746069D-04  0.527307D-03 -0.289275D-03 -0.669776D-04
     35  0.289146D-03  0.119197D-03  0.869606D-03 -0.120458D-02 -0.124901D-02
     36  0.171845D-03  0.436044D-03  0.556634D-04  0.480510D-03  0.626395D-03
     37  0.265136D-03  0.230818D-03  0.228469D-03 -0.649386D-03 -0.204225D-03
     38 -0.151714D-03 -0.201427D-03 -0.582308D-04  0.540185D-04 -0.957416D-04
     39 -0.125690D-03 -0.323328D-03  0.102866D-04 -0.147925D-03 -0.209440D-03
               31            32            33            34            35 
     31  0.398035D+00
     32 -0.323111D-01  0.594308D-01
     33 -0.133488D+00  0.321541D-01  0.784434D-01
     34  0.102040D-02  0.214025D-01  0.341339D-01  0.510040D-01
     35  0.186977D-03 -0.219862D-02 -0.359156D-02  0.156565D-01  0.156629D+00
     36 -0.527307D-02 -0.397914D-02 -0.121445D-01 -0.121369D-01  0.187057D+00
     37 -0.616471D-03 -0.123723D-02  0.249213D-02  0.126526D-02 -0.150174D-02
     38 -0.552340D-03 -0.445005D-03 -0.106378D-03 -0.169849D-02  0.131258D-02
     39  0.147066D-02 -0.215268D-02  0.298257D-02 -0.260963D-02  0.160002D-02
               36            37            38            39 
     36  0.328761D+00
     37 -0.633851D-05  0.302918D+00
     38 -0.155470D-02  0.173657D+00  0.176031D+00
     39 -0.229640D-02 -0.293351D-01 -0.395378D-01  0.399326D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.590998D+02  0.216362D+01 -0.420604D+00
      2   0.216362D+01  0.574614D+02 -0.235667D+01
      3  -0.420604D+00 -0.235667D+01  0.472893D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.262320D+01 -0.201579D+01 -0.717330D+01
      2   0.250091D+00 -0.559340D+01 -0.165438D+02
      3   0.798078D-01  0.116006D+02  0.292617D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.360773D+02  0.304846D+01 -0.315899D+01
      2   0.181239D+02  0.852341D+01  0.281677D+01
      3   0.179533D+02 -0.115719D+02  0.342228D+00
      4   0.222818D+02 -0.242514D+02 -0.171339D+02
      5  -0.122693D+01 -0.172608D+02 -0.309451D+02
      6  -0.103691D+02  0.375427D+01  0.795208D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.616993D+01 -0.225364D+01  0.158356D+01 -0.859700D+00 -0.321541D+01
      2  -0.225364D+01 -0.326931D+01 -0.918199D+00 -0.321541D+01 -0.252013D+01
      3   0.158356D+01 -0.918199D+00 -0.420095D+00 -0.121953D+01  0.110083D+01
                 6             7             8             9            10 
      1  -0.121953D+01  0.326397D+01 -0.149667D+01 -0.441225D+00 -0.393735D+01
      2   0.110083D+01 -0.149667D+01  0.164116D+01  0.228697D+01  0.416937D+00
      3   0.257822D+01 -0.441225D+00  0.228697D+01 -0.532357D+01 -0.107745D+01
                11            12            13            14            15 
      1   0.416937D+00 -0.107745D+01 -0.633619D+00  0.255673D+01  0.130482D+01
      2   0.246222D+01  0.785365D+00  0.255673D+01  0.671502D+00 -0.985579D-01
      3   0.785365D+00  0.421812D+00  0.130482D+01 -0.985579D-01 -0.299626D+01
                16            17            18            19            20 
      1  -0.228786D+01  0.960818D+00  0.668508D+00  0.697131D+00 -0.179710D+01
      2   0.960818D+00 -0.497089D+00 -0.345095D+01 -0.179710D+01 -0.249675D+01
      3   0.668508D+00 -0.345095D+01  0.540147D+01  0.174941D+01  0.932430D+00
                21            22            23            24            25 
      1   0.174941D+01 -0.358928D+01 -0.245816D+01  0.848881D+00  0.217906D+01
      2   0.932430D+00 -0.245816D+01 -0.193090D+01  0.173040D+00  0.104575D+01
      3  -0.397393D+00  0.848881D+00  0.173040D+00 -0.330915D+00 -0.130353D+00
                26            27            28            29            30 
      1   0.104575D+01 -0.130353D+00  0.870198D+01  0.392686D+01 -0.196985D+01
      2  -0.149905D+00  0.397943D+00  0.392686D+01  0.381382D+01 -0.914543D+00
      3   0.397943D+00 -0.468566D+00 -0.196985D+01 -0.914543D+00  0.202382D+01
                31            32            33            34            35 
      1   0.463764D+01  0.349572D+01 -0.648236D+00 -0.171292D+01 -0.497485D+00
      2   0.349572D+01  0.714351D+01 -0.123851D+01 -0.497485D+00 -0.913709D+00
      3  -0.648236D+00 -0.123851D+01  0.201495D+01  0.270901D+01  0.210558D+01
                36            37            38            39            40 
      1   0.270901D+01  0.459468D+01 -0.604294D+00 -0.607276D+00 -0.940872D+00
      2   0.210558D+01 -0.604294D+00 -0.926929D+00  0.487373D+00 -0.115093D+01
      3  -0.232976D+01 -0.607276D+00  0.487373D+00 -0.157128D+00  0.274808D+00
                41            42            43            44            45 
      1  -0.115093D+01  0.274808D+00 -0.635454D+00  0.893692D+00 -0.132543D+00
      2  -0.305039D+01  0.121158D+01  0.893692D+00  0.305374D+01  0.214638D+01
      3   0.121158D+01  0.208211D+01 -0.132543D+00  0.214638D+01  0.229233D+01
                46            47            48            49            50 
      1   0.617259D+01 -0.965781D+00  0.185265D+01  0.179988D+01  0.230976D+01
      2  -0.965781D+00  0.296945D+01 -0.990136D+00  0.230976D+01 -0.342957D+01
      3   0.185265D+01 -0.990136D+00  0.118891D+01 -0.355249D-01  0.661075D+00
                51            52            53            54            55 
      1  -0.355249D-01  0.548984D+00 -0.887645D+00  0.840205D+00  0.150187D+00
      2   0.661075D+00 -0.887645D+00  0.881915D+00 -0.175038D+01  0.419113D+00
      3  -0.513934D+00  0.840205D+00 -0.175038D+01  0.249331D+01 -0.111694D+01
                56            57            58            59            60 
      1   0.419113D+00 -0.111694D+01  0.629545D+00 -0.509264D+00 -0.943500D-01
      2  -0.470066D+00 -0.149582D+00 -0.509264D+00  0.181237D+01 -0.162079D+01
      3  -0.149582D+00 -0.334129D+00 -0.943500D-01 -0.162079D+01  0.216089D+01
                61            62            63            64            65 
      1  -0.120955D+01 -0.179236D+00 -0.387758D+00 -0.933008D+01  0.255822D+01
      2  -0.179236D+00 -0.203081D+01  0.202495D+01  0.255822D+01 -0.190758D+01
      3  -0.387758D+00  0.202495D+01 -0.805122D+01 -0.701221D+00  0.577723D-01
                66            67            68            69            70 
      1  -0.701221D+00  0.135142D+01 -0.136840D+01  0.295593D+00 -0.198273D+01
      2   0.577723D-01 -0.136840D+01  0.159071D+01 -0.349793D+00  0.624247D+00
      3  -0.135769D+01  0.295593D+00 -0.349793D+00 -0.555705D-02 -0.123295D+01
                71            72            73            74            75 
      1   0.624247D+00 -0.123295D+01 -0.679820D+00  0.575699D-01  0.940301D+00
      2  -0.908929D+00  0.917637D-01  0.575699D-01  0.472432D+00  0.164975D+00
      3   0.917637D-01 -0.228440D+00  0.940301D+00  0.164975D+00  0.799485D-01
                76            77            78            79            80 
      1  -0.443170D+00  0.345494D+00  0.359632D+00  0.118347D+01 -0.269927D-01
      2   0.345494D+00 -0.578307D+00  0.921884D+00 -0.269927D-01  0.150033D+01
      3   0.359632D+00  0.921884D+00 -0.187151D+01 -0.737026D+00 -0.287566D+00
                81            82            83            84            85 
      1  -0.737026D+00  0.116769D+01  0.144603D+01 -0.173107D+00  0.166423D+01
      2  -0.287566D+00  0.144603D+01  0.281415D+01  0.414492D+00  0.164107D+01
      3   0.820783D+01 -0.173107D+00  0.414492D+00  0.813015D+00  0.122014D+00
                86            87            88            89            90 
      1   0.164107D+01  0.122014D+00 -0.460508D+00  0.268141D+00  0.406961D+00
      2   0.730352D+01  0.318465D+00  0.268141D+00 -0.375169D+00  0.854665D+00
      3   0.318465D+00  0.898620D+00  0.406961D+00  0.854665D+00  0.448656D+00
                91            92            93            94            95 
      1  -0.835547D+01 -0.140238D+01  0.108543D+01 -0.164497D+00 -0.635462D+00
      2  -0.140238D+01 -0.159658D+01 -0.164978D+00 -0.635462D+00 -0.250729D+00
      3   0.108543D+01 -0.164978D+00 -0.123433D+01 -0.293689D+00  0.147729D+00
                96            97            98            99           100 
      1  -0.293689D+00  0.231643D+01 -0.550603D-01 -0.852385D+00 -0.504286D+00
      2   0.147729D+00 -0.550603D-01  0.515324D+00 -0.351785D+00 -0.809292D+00
      3  -0.784187D-01 -0.852385D+00 -0.351785D+00  0.566227D+00 -0.598608D+00
               101           102           103           104           105 
      1  -0.809292D+00 -0.598608D+00 -0.972585D+00 -0.754449D+00 -0.688879D+00
      2  -0.249652D+00 -0.388578D+00 -0.754449D+00 -0.357433D+01 -0.214824D+01
      3  -0.388578D+00  0.111375D+00 -0.688879D+00 -0.214824D+01 -0.277986D+01
               106           107           108           109           110 
      1  -0.112386D+01 -0.853172D+00 -0.710679D+00 -0.484719D+01 -0.992245D+00
      2  -0.853172D+00 -0.357259D+01 -0.331226D+01 -0.992245D+00 -0.161520D+01
      3  -0.710679D+00 -0.331226D+01 -0.421862D+01 -0.966898D+00  0.683609D+00
               111           112           113           114           115 
      1  -0.966898D+00 -0.247899D+01 -0.256701D+00 -0.225539D+00 -0.790270D-01
      2   0.683609D+00 -0.256701D+00 -0.318725D+01  0.921295D+00  0.203618D+00
      3  -0.738120D+00 -0.225539D+00  0.921295D+00 -0.115833D+01  0.235798D-03
               116           117 
      1   0.203618D+00  0.235798D-03
      2   0.855734D+00 -0.755311D+00
      3  -0.755311D+00  0.121036D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.365546D+01 -0.825094D+00  0.862627D-01  0.787965D+00 -0.474059D+01
      2  -0.501571D+01  0.334537D+01  0.230737D+01  0.350968D+01  0.274093D+00
      3   0.447876D+01 -0.102645D+02  0.966201D+00 -0.392282D+01 -0.102328D+02
                 6             7             8             9            10 
      1  -0.658991D+01 -0.228515D+00 -0.148218D+00  0.904363D+01  0.457266D+00
      2  -0.298517D+01 -0.235288D+01 -0.240352D+01  0.721695D+01 -0.433568D+01
      3  -0.664141D+00  0.141048D+01  0.163741D+00  0.306543D+01 -0.270979D+01
                11            12            13            14            15 
      1  -0.727410D+00  0.161601D+01  0.554412D+00 -0.191871D+01  0.158486D+01
      2   0.163351D+01  0.330449D+01 -0.110120D+01  0.119029D+01  0.133769D+01
      3  -0.282177D+01 -0.225411D+01  0.286032D+01  0.423394D+01 -0.142837D+01
                16            17            18            19            20 
      1  -0.346780D+00  0.509525D+01 -0.653682D+00  0.190092D+01  0.363296D+00
      2  -0.533315D+01  0.240517D+01 -0.178217D+01  0.385805D+01 -0.313404D+01
      3  -0.104104D+01 -0.189220D+00 -0.195295D+01 -0.255913D+01  0.522063D+01
                21            22            23            24            25 
      1   0.234569D+01 -0.285109D+01  0.747772D+01  0.330613D+01 -0.320614D+01
      2  -0.657075D+01 -0.671031D+01  0.876060D+00 -0.320067D+01 -0.135779D+02
      3   0.147814D+01  0.732163D+01  0.521261D+01  0.119618D+01  0.489405D+01
                26            27            28            29            30 
      1   0.685984D+01 -0.738648D+01 -0.683745D+00 -0.222565D+01 -0.446877D+01
      2   0.104798D+01 -0.124932D+01  0.139595D+01  0.152183D+00  0.916679D+01
      3  -0.101726D+00  0.131987D+01  0.168689D+01 -0.109052D+02  0.777858D+00
                31            32            33            34            35 
      1   0.901187D+00 -0.298303D+01 -0.623378D+01  0.149807D+01  0.271918D+01
      2   0.386668D+01 -0.184109D+01  0.462897D+01  0.185167D+01  0.182305D+01
      3   0.184931D+01 -0.112448D+02  0.859853D+00 -0.125142D+01  0.135334D+01
                36            37            38            39            40 
      1   0.197306D+01 -0.181529D+01  0.217350D+01 -0.799006D+00  0.176642D+01
      2  -0.207166D+01  0.142984D+01 -0.128770D+01  0.332953D+01 -0.843691D+00
      3  -0.340248D+01 -0.102380D+02 -0.659864D+01  0.233488D+01  0.527797D+01
                41            42            43            44            45 
      1   0.496187D+01 -0.216474D+01  0.106386D+01  0.793882D+01  0.519060D+01
      2  -0.266309D+01 -0.251170D+01 -0.391937D+01 -0.348609D+01 -0.265303D+01
      3  -0.184656D+01  0.109413D+01  0.324227D+01  0.121448D+01  0.293786D+01
                46            47            48            49            50 
      1   0.297039D+01  0.236068D+01  0.323435D+01  0.306281D+01 -0.106899D+01
      2  -0.626990D+01 -0.209743D+01  0.479122D+01 -0.606810D+00  0.414329D+00
      3  -0.128719D+02 -0.930396D+01 -0.128927D+01 -0.402260D+01  0.107331D+01
                51            52            53            54            55 
      1  -0.377631D+01  0.261036D+01  0.134102D+01  0.339865D+01  0.613937D-01
      2  -0.742000D+00  0.133158D+01 -0.269746D+01  0.356850D+01  0.668748D+00
      3  -0.227616D+01 -0.271611D+01 -0.207866D+00  0.144475D+01  0.136291D+01
                56            57            58            59            60 
      1   0.881962D-01  0.263935D+00 -0.215336D+00 -0.875850D+00 -0.117967D+01
      2   0.396034D-01  0.221836D+00  0.882680D+00  0.755620D+00 -0.135782D+01
      3  -0.101533D+01 -0.152591D-01  0.134625D+01  0.551323D+00 -0.836529D+00
                61            62            63            64            65 
      1   0.675883D+00  0.237799D+01  0.314415D+01  0.143195D+01 -0.497191D+00
      2  -0.258487D+01 -0.161660D+01  0.433931D+01  0.476942D+01 -0.906946D+00
      3  -0.125743D+01 -0.140241D+01  0.756292D+00 -0.902224D+01 -0.243871D+01
                66            67            68            69            70 
      1   0.250420D+01 -0.912180D+00  0.931404D+00 -0.820460D+00  0.163449D+01
      2   0.499302D+01 -0.135044D+01  0.726188D+00 -0.437692D+00  0.123930D+01
      3  -0.130679D+01  0.126076D+01  0.900727D+00 -0.154576D+00 -0.121378D+01
                71            72            73            74            75 
      1   0.512264D+00  0.373949D+00 -0.133952D+01  0.350980D+00  0.145377D+00
      2  -0.539455D-01  0.123582D+01 -0.976885D+00 -0.483758D-01  0.359124D-01
      3  -0.120681D+01 -0.159366D+01 -0.864461D+00  0.774045D-01  0.121652D+01
                76            77            78            79            80 
      1   0.937429D-01 -0.255333D+01  0.214242D+01  0.651337D+00  0.435461D+01
      2   0.410571D+00 -0.143497D+01  0.240294D+01 -0.239246D+01  0.870970D+00
      3   0.725313D+00 -0.270701D+00  0.157912D+01  0.133891D+01  0.207776D+01
                81            82            83            84            85 
      1  -0.113770D+02  0.157728D+01  0.954393D+00 -0.193311D+01  0.860170D+00
      2  -0.106102D+02 -0.652702D+00 -0.114715D+01  0.116348D-01 -0.111962D+01
      3  -0.146934D+01  0.581668D+01  0.483752D+01 -0.310235D+00  0.696521D+01
                86            87            88            89            90 
      1   0.349167D+01 -0.313340D+01 -0.822179D+00 -0.214522D+00 -0.203558D+00
      2  -0.171792D+01 -0.632861D+00 -0.111115D+01 -0.824841D+00 -0.771146D+00
      3   0.120008D+02  0.545046D+00 -0.977179D+00  0.109037D+00  0.183550D+01
                91            92            93            94            95 
      1   0.295674D+01  0.153354D+00 -0.175020D+01 -0.390896D+00  0.599735D+00
      2  -0.232667D+01 -0.372222D+00  0.378851D+01  0.296859D+00 -0.563353D+00
      3   0.100104D+02 -0.260755D+01 -0.179680D+01 -0.310461D+00  0.965532D+00
                96            97            98            99           100 
      1  -0.235593D+00 -0.931048D+00 -0.692586D-01  0.691203D+00 -0.205017D+00
      2  -0.167687D+00  0.662579D+00  0.434920D+00 -0.142516D+01  0.399478D+00
      3   0.103616D+01 -0.403470D+01  0.165860D+01  0.341016D+00  0.545468D-01
               101           102           103           104           105 
      1  -0.204837D+00  0.201375D+00 -0.117659D+01 -0.203687D+01 -0.466403D+01
      2   0.376160D+00 -0.681106D-01  0.483717D+00  0.270345D+01  0.394504D+01
      3   0.157008D+00 -0.170497D+00  0.157935D+01 -0.367610D+01 -0.158831D+01
               106           107           108           109           110 
      1  -0.109047D+01 -0.265901D+01 -0.620240D+01 -0.365691D+01 -0.196423D+01
      2  -0.875772D+00  0.422044D+01  0.535165D+01  0.684460D+01  0.227031D+01
      3   0.900987D+00 -0.360029D+01 -0.349162D+01  0.137767D+02  0.693235D+01
               111           112           113           114           115 
      1  -0.144611D+01 -0.226914D+01 -0.108303D+00 -0.187832D+01 -0.430143D+00
      2  -0.166863D+01  0.228188D+01  0.128039D+01 -0.279043D+00 -0.248948D+01
      3   0.154743D+01  0.862168D+01  0.341049D+01  0.425380D+00  0.704970D+00
               116           117 
      1   0.622838D+00  0.829856D+00
      2  -0.797786D+00 -0.937298D+00
      3   0.131362D+00  0.209331D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.249940D+02  0.158597D+02 -0.374179D+01  0.145372D+02  0.109003D+02
      2   0.515248D+01 -0.150346D+02  0.532545D+00 -0.132698D+02 -0.153568D+02
      3   0.198415D+02 -0.825167D+00  0.320924D+01 -0.126737D+01  0.445652D+01
      4   0.202513D+02 -0.136683D+01  0.609808D+01  0.340968D+01 -0.466328D+01
      5  -0.315964D+01  0.124838D+01  0.173537D+01  0.231635D+01 -0.522922D+01
      6   0.424368D+01 -0.392436D+01 -0.847216D+00 -0.460045D+01  0.272354D+01
                 6             7             8             9            10 
      1  -0.170118D+01 -0.643051D+01 -0.721865D+00  0.339658D+01  0.615342D+01
      2  -0.186560D+01 -0.948486D-01  0.573274D+00  0.136541D+02 -0.292190D+01
      3   0.356678D+01  0.652536D+01  0.148591D+00 -0.170507D+02 -0.323152D+01
      4  -0.465829D+01  0.101926D+02 -0.694241D+01 -0.814295D+01 -0.849274D+00
      5  -0.609234D+01  0.255236D+01 -0.624628D+01  0.121392D+02  0.778486D-01
      6   0.694139D+01 -0.269085D+01  0.573550D+01 -0.563936D+01 -0.324860D+00
                11            12            13            14            15 
      1   0.164663D+01 -0.285551D+01 -0.597080D+01  0.264621D+01 -0.487123D+01
      2  -0.306299D+01  0.199517D+01  0.369275D+01 -0.248352D+01 -0.226437D+01
      3   0.141636D+01  0.860343D+00  0.227805D+01 -0.162693D+00  0.713560D+01
      4  -0.323256D+01 -0.308065D+01 -0.108951D+02 -0.496389D+00  0.118315D+01
      5  -0.142811D+01 -0.171642D+00 -0.395316D+01  0.493200D+00  0.250762D+01
      6   0.288429D+01 -0.226466D+01  0.284611D+00  0.757403D-01 -0.101744D+02
                16            17            18            19            20 
      1   0.235225D+01 -0.236208D+01  0.790489D+01 -0.156746D+02 -0.225576D+01
      2   0.158508D+01 -0.594055D+01  0.575468D+01  0.761199D+01 -0.158666D+01
      3  -0.393732D+01  0.830263D+01 -0.136596D+02  0.806259D+01  0.384242D+01
      4  -0.439569D+01  0.529171D+01  0.806903D+01 -0.149315D+02 -0.172741D+02
      5  -0.129997D+01  0.589993D+01 -0.806536D+01  0.567207D+01  0.482291D+01
      6   0.320504D+01 -0.332637D+01  0.783624D+01 -0.737090D+00  0.267520D+00
                21            22            23            24            25 
      1   0.274591D+01 -0.144685D+02 -0.274155D+01 -0.104471D+01  0.454583D+01
      2  -0.192701D+01  0.950416D+01 -0.617896D+01 -0.602921D+01 -0.227227D+01
      3  -0.818902D+00  0.496430D+01  0.892051D+01  0.707391D+01 -0.227356D+01
      4   0.471008D+01 -0.156894D+02 -0.803515D+01 -0.674538D+00  0.762307D+01
      5  -0.117255D+02  0.813271D+01  0.149767D+00 -0.576485D+01 -0.216040D+01
      6  -0.281980D+01 -0.789838D+00  0.425315D+01 -0.582571D+01  0.112534D+01
                26            27            28            29            30 
      1  -0.131375D+01 -0.537214D+01  0.386628D+02  0.953586D+01 -0.428860D+01
      2   0.578018D+01 -0.436987D+00 -0.199566D+02  0.471434D-02  0.534512D+01
      3  -0.446644D+01  0.580913D+01 -0.187062D+02 -0.954057D+01 -0.105651D+01
      4  -0.290623D+01 -0.223225D+01  0.248198D+02  0.247587D+02 -0.448049D+01
      5  -0.231290D+00 -0.556528D-01 -0.113427D+02 -0.473553D+01  0.175867D+02
      6   0.392513D+01  0.582260D+01 -0.965589D+00 -0.116334D+01  0.524504D+01
                31            32            33            34            35 
      1   0.128053D+02  0.205436D+01  0.425123D+00 -0.432984D+01  0.967887D+00
      2  -0.314013D+01  0.109147D+02  0.170798D+01  0.388979D+01 -0.286323D+00
      3  -0.966520D+01 -0.129690D+02 -0.213310D+01  0.440054D+00 -0.681563D+00
      4   0.263260D+02  0.271610D+02 -0.449596D+01 -0.378695D+01 -0.323060D+01
      5  -0.467129D+01 -0.523114D+01  0.959733D+01  0.163280D+02  0.787353D+01
      6  -0.252316D+01 -0.229358D+01  0.903896D+01  0.434163D+01  0.737854D+01
                36            37            38            39            40 
      1   0.275923D+01 -0.148961D+02 -0.385708D+01  0.724974D+01  0.184524D+01
      2  -0.692305D+01  0.935489D+01  0.516061D+01 -0.597415D+01  0.148007D+01
      3   0.416382D+01  0.554119D+01 -0.130352D+01 -0.127559D+01 -0.332531D+01
      4   0.861803D+01 -0.757943D+01  0.725435D+01 -0.700529D+00  0.110957D+02
      5  -0.940284D+01  0.466455D+01 -0.239356D+01  0.551042D+01 -0.178152D+01
      6  -0.367822D+01  0.221781D+01 -0.263192D+01  0.156147D+01 -0.920206D+00
                41            42            43            44            45 
      1  -0.386433D+01  0.338124D+01  0.694955D+01  0.267435D+01  0.292059D+01
      2   0.136650D+02 -0.202975D+01 -0.703477D+01 -0.201703D+01 -0.623626D+01
      3  -0.980070D+01 -0.135149D+01  0.852130D-01 -0.657318D+00  0.331567D+01
      4   0.922086D+01 -0.344900D+01 -0.140176D+01 -0.856487D+01 -0.521450D+01
      5  -0.339859D+01 -0.489992D+01  0.389537D+01 -0.662422D+01 -0.497900D+01
      6  -0.835015D+01  0.380503D+00 -0.168509D+01 -0.509587D+01 -0.114882D+02
                46            47            48            49            50 
      1   0.132154D+02  0.478533D+00 -0.566300D+00  0.314835D+01 -0.555148D+01
      2  -0.707597D+01 -0.490959D+01 -0.208543D+01 -0.590283D+01  0.140675D+02
      3  -0.613940D+01  0.443106D+01  0.265173D+01  0.275447D+01 -0.851604D+01
      4  -0.169886D+02  0.154600D+02 -0.562860D+01  0.100766D+02 -0.141520D+02
      5   0.488191D+01 -0.382575D+01  0.104952D+02 -0.235342D+01  0.407610D+01
      6  -0.352211D+01  0.303166D+01 -0.517514D+01  0.127017D+01 -0.443187D+01
                51            52            53            54            55 
      1   0.244396D+01 -0.138017D+01  0.347614D+01 -0.488264D+01 -0.129129D+00
      2   0.477509D+00 -0.118146D+00 -0.226299D+01 -0.457431D+01 -0.272635D+01
      3  -0.292147D+01  0.149831D+01 -0.121315D+01  0.945696D+01  0.285547D+01
      4   0.269405D+01 -0.303699D+01  0.376638D+01 -0.658588D+01 -0.100416D+01
      5  -0.259756D+01  0.907297D+01 -0.578666D+01  0.897701D+01  0.193259D+01
      6   0.100493D+02 -0.326667D+01  0.883330D+01 -0.727252D+01 -0.235750D+01
                56            57            58            59            60 
      1  -0.765742D+00  0.206897D+01  0.975316D+00 -0.559888D+01  0.494135D+01
      2   0.522086D+00 -0.111510D+01 -0.382356D+00  0.108556D+01  0.454610D+00
      3   0.243656D+00 -0.953865D+00 -0.592960D+00  0.451332D+01 -0.539596D+01
      4   0.280619D+01 -0.126470D+01  0.347325D+01 -0.364641D+01  0.250123D+01
      5  -0.142168D+01  0.633844D+01 -0.100364D+01  0.239030D+01 -0.329945D+01
      6  -0.409027D+00  0.112158D+00  0.446716D+00 -0.621873D+01  0.972880D+01
                61            62            63            64            65 
      1   0.964549D-01  0.485552D+01 -0.167321D+02  0.437706D+02 -0.831673D+01
      2  -0.109053D+01  0.222978D+01 -0.139003D+02 -0.165972D+02 -0.550772D+00
      3   0.994073D+00 -0.708530D+01  0.306324D+02 -0.271734D+02  0.886750D+01
      4  -0.824226D+00  0.324653D+01 -0.361968D+01 -0.308145D+02  0.159517D+02
      5   0.526133D+01 -0.279899D+01  0.114834D+02 -0.861620D+00  0.708798D+00
      6  -0.124029D+01  0.773950D+01 -0.127465D+02 -0.196073D+01 -0.231997D+00
                66            67            68            69            70 
      1   0.436814D+01 -0.408894D+01  0.334055D+01 -0.261957D+00  0.746222D+01
      2  -0.106688D+01 -0.198407D+01  0.354217D+01 -0.312633D+00 -0.219392D+01
      3  -0.330126D+01  0.607300D+01 -0.688272D+01  0.574589D+00 -0.526830D+01
      4  -0.223304D+01  0.124129D+02 -0.865786D+01  0.187474D+01 -0.597528D+01
      5   0.739870D+01 -0.129320D+00  0.906008D+00 -0.501289D+00  0.740549D+01
      6  -0.436837D+01  0.602558D+00 -0.299510D+00  0.132912D+01 -0.396662D+01
                71            72            73            74            75 
      1  -0.388658D+00  0.434120D+01  0.270459D+01 -0.151681D+01 -0.295108D+01
      2  -0.141448D+01 -0.397661D+01 -0.361454D+01  0.156426D+01  0.200141D+01
      3   0.180314D+01 -0.364582D+00  0.909953D+00 -0.474508D-01  0.949669D+00
      4   0.452158D+01 -0.345806D+01 -0.204636D+01  0.654115D+00  0.970878D+00
      5  -0.134923D+01  0.224031D+01 -0.239660D+01 -0.655772D+00  0.533499D+01
      6   0.170598D+01 -0.146461D+01  0.832907D+00  0.802423D+00  0.238913D-01
                76            77            78            79            80 
      1  -0.768430D-01 -0.272572D+01  0.454230D+00 -0.266003D+01 -0.118446D+01
      2   0.285371D+00 -0.431311D+00  0.527611D+01  0.308300D+01  0.446154D+01
      3  -0.208528D+00  0.315703D+01 -0.573034D+01 -0.422961D+00 -0.327708D+01
      4   0.585977D-01  0.259721D+01 -0.230852D+01  0.195295D+01 -0.392543D+01
      5  -0.226687D+01 -0.199021D+01  0.443976D+01  0.692420D+01  0.856171D+00
      6   0.250454D+00 -0.861828D+00  0.235960D+01 -0.117970D+01  0.437122D+01
                81            82            83            84            85 
      1  -0.124968D+02 -0.258178D+01 -0.999458D+01 -0.526005D+00 -0.835179D+01
      2  -0.182462D+02  0.639144D+01  0.137353D+02  0.788209D-01  0.967182D+01
      3   0.307430D+02 -0.380966D+01 -0.374074D+01  0.447184D+00 -0.132004D+01
      4   0.152120D+01  0.253412D+01  0.290350D+01 -0.921843D+00  0.491694D+01
      5  -0.200559D+02  0.196549D+01  0.109085D+01 -0.372673D+00  0.166244D+01
      6   0.131452D+02  0.242326D+00  0.250252D+01  0.329400D+01  0.155864D+01
                86            87            88            89            90 
      1  -0.236146D+02 -0.145621D+01  0.652221D+00 -0.108681D+00 -0.441206D+01
      2   0.386135D+02  0.729730D+00 -0.367013D+00 -0.135553D+01  0.294802D+01
      3  -0.149989D+02  0.726476D+00 -0.285207D+00  0.146421D+01  0.146404D+01
      4  -0.604780D+01  0.859195D-01 -0.165133D+01  0.108345D+01  0.659306D+00
      5   0.198556D+01 -0.109465D+01  0.572281D+00 -0.482538D+00 -0.867020D+00
      6   0.538203D+01  0.605303D+01  0.234358D+01  0.621150D+01  0.713456D+00
                91            92            93            94            95 
      1   0.372068D+02  0.392400D+01 -0.588672D+01 -0.871899D+00  0.203015D+01
      2  -0.189645D+02 -0.125046D+00  0.293673D+01  0.162538D+01 -0.193761D+00
      3  -0.182423D+02 -0.379896D+01  0.294999D+01 -0.753481D+00 -0.183639D+01
      4   0.170751D+02  0.845241D+01 -0.165406D+01  0.491538D+01  0.124718D+01
      5  -0.288456D+01  0.405881D+00  0.569976D+01  0.131205D+01 -0.656540D+00
      6  -0.252762D+01  0.595409D+00  0.280844D+01  0.528149D+00 -0.125625D+00
                96            97            98            99           100 
      1   0.122047D+01 -0.878206D+01  0.695598D-01  0.332018D+01  0.132143D+01
      2  -0.930943D+00  0.581555D+01 -0.547563D+00 -0.256092D+01 -0.587166D+00
      3  -0.289529D+00  0.296651D+01  0.478003D+00 -0.759259D+00 -0.734269D+00
      4  -0.290005D+00 -0.385382D+01 -0.755588D+00  0.171058D+01  0.357942D+01
      5  -0.656162D-01  0.509679D+01  0.119698D+01 -0.237319D+01  0.225578D+01
      6   0.127936D+01  0.145955D+01  0.189836D+01 -0.101062D+01  0.252401D+01
               101           102           103           104           105 
      1   0.176408D+01  0.162574D+01  0.159673D+01 -0.724467D+01 -0.463004D+01
      2  -0.487136D+00 -0.228289D+00 -0.297186D+00  0.871085D+01  0.414964D+01
      3  -0.127694D+01 -0.139745D+01 -0.129954D+01 -0.146619D+01  0.480396D+00
      4   0.434657D+01  0.336192D+01  0.522576D+01  0.963667D+01  0.630581D+01
      5   0.301803D+01  0.299768D+01  0.322762D+01  0.675943D+01  0.833220D+01
      6   0.978338D+00  0.392511D+00  0.330175D+01  0.120883D+02  0.124573D+02
               106           107           108           109           110 
      1   0.157594D+01 -0.687618D+01 -0.937639D+01 -0.595975D+01 -0.361732D+01
      2  -0.615524D+00  0.441252D+01  0.174912D+01  0.453354D+01  0.332737D+01
      3  -0.960416D+00  0.246366D+01  0.762726D+01  0.142621D+01  0.289948D+00
      4   0.478814D+01  0.956253D+01  0.814331D+01  0.811780D+01 -0.325275D+01
      5   0.486698D+01  0.978925D+01  0.119806D+02 -0.122573D+01  0.808892D+00
      6   0.314548D+01  0.147242D+02  0.166554D+02  0.233475D+01 -0.270153D+01
               111           112           113           114           115 
      1   0.219672D+01 -0.252187D+01 -0.793791D+01  0.267007D+01  0.228552D+00
      2  -0.212532D+00  0.160168D+01  0.106602D+02 -0.250531D+01 -0.305991D+00
      3  -0.198419D+01  0.920192D+00 -0.272230D+01 -0.164758D+00  0.774381D-01
      4   0.246629D+01  0.377355D+01 -0.200041D+01  0.810798D+00  0.369265D+00
      5  -0.353826D+01 -0.491954D+00 -0.254678D+00 -0.561232D+00  0.584344D+00
      6   0.203768D+01  0.169995D+00 -0.429810D+01  0.367202D+01  0.572205D+00
               116           117 
      1   0.248333D+01 -0.289671D+01
      2  -0.206172D+01  0.122256D+01
      3  -0.421616D+00  0.167416D+01
      4  -0.114705D+01  0.531861D+00
      5   0.669711D-01 -0.144222D+01
      6   0.336039D+01 -0.322965D+01
 Leave Link  716 at Thu Aug 26 17:31:58 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.590998D+02  0.216362D+01 -0.420604D+00
      2   0.216362D+01  0.574614D+02 -0.235667D+01
      3  -0.420604D+00 -0.235667D+01  0.472893D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.262320D+01 -0.201579D+01 -0.717330D+01
      2   0.250091D+00 -0.559340D+01 -0.165438D+02
      3   0.798078D-01  0.116006D+02  0.292617D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.360773D+02  0.304846D+01 -0.315899D+01
      2   0.181239D+02  0.852341D+01  0.281677D+01
      3   0.179533D+02 -0.115719D+02  0.342228D+00
      4   0.222818D+02 -0.242514D+02 -0.171339D+02
      5  -0.122693D+01 -0.172608D+02 -0.309451D+02
      6  -0.103691D+02  0.375427D+01  0.795208D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.616993D+01 -0.225364D+01  0.158356D+01 -0.859700D+00 -0.321541D+01
      2  -0.225364D+01 -0.326931D+01 -0.918199D+00 -0.321541D+01 -0.252013D+01
      3   0.158356D+01 -0.918199D+00 -0.420095D+00 -0.121953D+01  0.110083D+01
                 6             7             8             9            10 
      1  -0.121953D+01  0.326397D+01 -0.149667D+01 -0.441225D+00 -0.393735D+01
      2   0.110083D+01 -0.149667D+01  0.164116D+01  0.228697D+01  0.416937D+00
      3   0.257822D+01 -0.441225D+00  0.228697D+01 -0.532357D+01 -0.107745D+01
                11            12            13            14            15 
      1   0.416937D+00 -0.107745D+01 -0.633619D+00  0.255673D+01  0.130482D+01
      2   0.246222D+01  0.785365D+00  0.255673D+01  0.671502D+00 -0.985579D-01
      3   0.785365D+00  0.421812D+00  0.130482D+01 -0.985579D-01 -0.299626D+01
                16            17            18            19            20 
      1  -0.228786D+01  0.960818D+00  0.668508D+00  0.697131D+00 -0.179710D+01
      2   0.960818D+00 -0.497089D+00 -0.345095D+01 -0.179710D+01 -0.249675D+01
      3   0.668508D+00 -0.345095D+01  0.540147D+01  0.174941D+01  0.932430D+00
                21            22            23            24            25 
      1   0.174941D+01 -0.358928D+01 -0.245816D+01  0.848881D+00  0.217906D+01
      2   0.932430D+00 -0.245816D+01 -0.193090D+01  0.173040D+00  0.104575D+01
      3  -0.397393D+00  0.848881D+00  0.173040D+00 -0.330915D+00 -0.130353D+00
                26            27            28            29            30 
      1   0.104575D+01 -0.130353D+00  0.870198D+01  0.392686D+01 -0.196985D+01
      2  -0.149905D+00  0.397943D+00  0.392686D+01  0.381382D+01 -0.914543D+00
      3   0.397943D+00 -0.468566D+00 -0.196985D+01 -0.914543D+00  0.202382D+01
                31            32            33            34            35 
      1   0.463764D+01  0.349572D+01 -0.648236D+00 -0.171292D+01 -0.497485D+00
      2   0.349572D+01  0.714351D+01 -0.123851D+01 -0.497485D+00 -0.913709D+00
      3  -0.648236D+00 -0.123851D+01  0.201495D+01  0.270901D+01  0.210558D+01
                36            37            38            39            40 
      1   0.270901D+01  0.459468D+01 -0.604294D+00 -0.607276D+00 -0.940872D+00
      2   0.210558D+01 -0.604294D+00 -0.926929D+00  0.487373D+00 -0.115093D+01
      3  -0.232976D+01 -0.607276D+00  0.487373D+00 -0.157128D+00  0.274808D+00
                41            42            43            44            45 
      1  -0.115093D+01  0.274808D+00 -0.635454D+00  0.893692D+00 -0.132543D+00
      2  -0.305039D+01  0.121158D+01  0.893692D+00  0.305374D+01  0.214638D+01
      3   0.121158D+01  0.208211D+01 -0.132543D+00  0.214638D+01  0.229233D+01
                46            47            48            49            50 
      1   0.617259D+01 -0.965781D+00  0.185265D+01  0.179988D+01  0.230976D+01
      2  -0.965781D+00  0.296945D+01 -0.990136D+00  0.230976D+01 -0.342957D+01
      3   0.185265D+01 -0.990136D+00  0.118891D+01 -0.355249D-01  0.661075D+00
                51            52            53            54            55 
      1  -0.355249D-01  0.548984D+00 -0.887645D+00  0.840205D+00  0.150187D+00
      2   0.661075D+00 -0.887645D+00  0.881915D+00 -0.175038D+01  0.419113D+00
      3  -0.513934D+00  0.840205D+00 -0.175038D+01  0.249331D+01 -0.111694D+01
                56            57            58            59            60 
      1   0.419113D+00 -0.111694D+01  0.629545D+00 -0.509264D+00 -0.943500D-01
      2  -0.470066D+00 -0.149582D+00 -0.509264D+00  0.181237D+01 -0.162079D+01
      3  -0.149582D+00 -0.334129D+00 -0.943500D-01 -0.162079D+01  0.216089D+01
                61            62            63            64            65 
      1  -0.120955D+01 -0.179236D+00 -0.387758D+00 -0.933008D+01  0.255822D+01
      2  -0.179236D+00 -0.203081D+01  0.202495D+01  0.255822D+01 -0.190758D+01
      3  -0.387758D+00  0.202495D+01 -0.805122D+01 -0.701221D+00  0.577723D-01
                66            67            68            69            70 
      1  -0.701221D+00  0.135142D+01 -0.136840D+01  0.295593D+00 -0.198273D+01
      2   0.577723D-01 -0.136840D+01  0.159071D+01 -0.349793D+00  0.624247D+00
      3  -0.135769D+01  0.295593D+00 -0.349793D+00 -0.555705D-02 -0.123295D+01
                71            72            73            74            75 
      1   0.624247D+00 -0.123295D+01 -0.679820D+00  0.575699D-01  0.940301D+00
      2  -0.908929D+00  0.917637D-01  0.575699D-01  0.472432D+00  0.164975D+00
      3   0.917637D-01 -0.228440D+00  0.940301D+00  0.164975D+00  0.799485D-01
                76            77            78            79            80 
      1  -0.443170D+00  0.345494D+00  0.359632D+00  0.118347D+01 -0.269927D-01
      2   0.345494D+00 -0.578307D+00  0.921884D+00 -0.269927D-01  0.150033D+01
      3   0.359632D+00  0.921884D+00 -0.187151D+01 -0.737026D+00 -0.287566D+00
                81            82            83            84            85 
      1  -0.737026D+00  0.116769D+01  0.144603D+01 -0.173107D+00  0.166423D+01
      2  -0.287566D+00  0.144603D+01  0.281415D+01  0.414492D+00  0.164107D+01
      3   0.820783D+01 -0.173107D+00  0.414492D+00  0.813015D+00  0.122014D+00
                86            87            88            89            90 
      1   0.164107D+01  0.122014D+00 -0.460508D+00  0.268141D+00  0.406961D+00
      2   0.730352D+01  0.318465D+00  0.268141D+00 -0.375169D+00  0.854665D+00
      3   0.318465D+00  0.898620D+00  0.406961D+00  0.854665D+00  0.448656D+00
                91            92            93            94            95 
      1  -0.835547D+01 -0.140238D+01  0.108543D+01 -0.164497D+00 -0.635462D+00
      2  -0.140238D+01 -0.159658D+01 -0.164978D+00 -0.635462D+00 -0.250729D+00
      3   0.108543D+01 -0.164978D+00 -0.123433D+01 -0.293689D+00  0.147729D+00
                96            97            98            99           100 
      1  -0.293689D+00  0.231643D+01 -0.550603D-01 -0.852385D+00 -0.504286D+00
      2   0.147729D+00 -0.550603D-01  0.515324D+00 -0.351785D+00 -0.809292D+00
      3  -0.784187D-01 -0.852385D+00 -0.351785D+00  0.566227D+00 -0.598608D+00
               101           102           103           104           105 
      1  -0.809292D+00 -0.598608D+00 -0.972585D+00 -0.754449D+00 -0.688879D+00
      2  -0.249652D+00 -0.388578D+00 -0.754449D+00 -0.357433D+01 -0.214824D+01
      3  -0.388578D+00  0.111375D+00 -0.688879D+00 -0.214824D+01 -0.277986D+01
               106           107           108           109           110 
      1  -0.112386D+01 -0.853172D+00 -0.710679D+00 -0.484719D+01 -0.992245D+00
      2  -0.853172D+00 -0.357259D+01 -0.331226D+01 -0.992245D+00 -0.161520D+01
      3  -0.710679D+00 -0.331226D+01 -0.421862D+01 -0.966898D+00  0.683609D+00
               111           112           113           114           115 
      1  -0.966898D+00 -0.247899D+01 -0.256701D+00 -0.225539D+00 -0.790270D-01
      2   0.683609D+00 -0.256701D+00 -0.318725D+01  0.921295D+00  0.203618D+00
      3  -0.738120D+00 -0.225539D+00  0.921295D+00 -0.115833D+01  0.235798D-03
               116           117 
      1   0.203618D+00  0.235798D-03
      2   0.855734D+00 -0.755311D+00
      3  -0.755311D+00  0.121036D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.365546D+01 -0.825094D+00  0.862627D-01  0.787965D+00 -0.474059D+01
      2  -0.501571D+01  0.334537D+01  0.230737D+01  0.350968D+01  0.274093D+00
      3   0.447876D+01 -0.102645D+02  0.966201D+00 -0.392282D+01 -0.102328D+02
                 6             7             8             9            10 
      1  -0.658991D+01 -0.228515D+00 -0.148218D+00  0.904363D+01  0.457266D+00
      2  -0.298517D+01 -0.235288D+01 -0.240352D+01  0.721695D+01 -0.433568D+01
      3  -0.664141D+00  0.141048D+01  0.163741D+00  0.306543D+01 -0.270979D+01
                11            12            13            14            15 
      1  -0.727410D+00  0.161601D+01  0.554412D+00 -0.191871D+01  0.158486D+01
      2   0.163351D+01  0.330449D+01 -0.110120D+01  0.119029D+01  0.133769D+01
      3  -0.282177D+01 -0.225411D+01  0.286032D+01  0.423394D+01 -0.142837D+01
                16            17            18            19            20 
      1  -0.346780D+00  0.509525D+01 -0.653682D+00  0.190092D+01  0.363296D+00
      2  -0.533315D+01  0.240517D+01 -0.178217D+01  0.385805D+01 -0.313404D+01
      3  -0.104104D+01 -0.189220D+00 -0.195295D+01 -0.255913D+01  0.522063D+01
                21            22            23            24            25 
      1   0.234569D+01 -0.285109D+01  0.747772D+01  0.330613D+01 -0.320614D+01
      2  -0.657075D+01 -0.671031D+01  0.876060D+00 -0.320067D+01 -0.135779D+02
      3   0.147814D+01  0.732163D+01  0.521261D+01  0.119618D+01  0.489405D+01
                26            27            28            29            30 
      1   0.685984D+01 -0.738648D+01 -0.683745D+00 -0.222565D+01 -0.446877D+01
      2   0.104798D+01 -0.124932D+01  0.139595D+01  0.152183D+00  0.916679D+01
      3  -0.101726D+00  0.131987D+01  0.168689D+01 -0.109052D+02  0.777858D+00
                31            32            33            34            35 
      1   0.901187D+00 -0.298303D+01 -0.623378D+01  0.149807D+01  0.271918D+01
      2   0.386668D+01 -0.184109D+01  0.462897D+01  0.185167D+01  0.182305D+01
      3   0.184931D+01 -0.112448D+02  0.859853D+00 -0.125142D+01  0.135334D+01
                36            37            38            39            40 
      1   0.197306D+01 -0.181529D+01  0.217350D+01 -0.799006D+00  0.176642D+01
      2  -0.207166D+01  0.142984D+01 -0.128770D+01  0.332953D+01 -0.843691D+00
      3  -0.340248D+01 -0.102380D+02 -0.659864D+01  0.233488D+01  0.527797D+01
                41            42            43            44            45 
      1   0.496187D+01 -0.216474D+01  0.106386D+01  0.793882D+01  0.519060D+01
      2  -0.266309D+01 -0.251170D+01 -0.391937D+01 -0.348609D+01 -0.265303D+01
      3  -0.184656D+01  0.109413D+01  0.324227D+01  0.121448D+01  0.293786D+01
                46            47            48            49            50 
      1   0.297039D+01  0.236068D+01  0.323435D+01  0.306281D+01 -0.106899D+01
      2  -0.626990D+01 -0.209743D+01  0.479122D+01 -0.606810D+00  0.414329D+00
      3  -0.128719D+02 -0.930396D+01 -0.128927D+01 -0.402260D+01  0.107331D+01
                51            52            53            54            55 
      1  -0.377631D+01  0.261036D+01  0.134102D+01  0.339865D+01  0.613937D-01
      2  -0.742000D+00  0.133158D+01 -0.269746D+01  0.356850D+01  0.668748D+00
      3  -0.227616D+01 -0.271611D+01 -0.207866D+00  0.144475D+01  0.136291D+01
                56            57            58            59            60 
      1   0.881962D-01  0.263935D+00 -0.215336D+00 -0.875850D+00 -0.117967D+01
      2   0.396034D-01  0.221836D+00  0.882680D+00  0.755620D+00 -0.135782D+01
      3  -0.101533D+01 -0.152591D-01  0.134625D+01  0.551323D+00 -0.836529D+00
                61            62            63            64            65 
      1   0.675883D+00  0.237799D+01  0.314415D+01  0.143195D+01 -0.497191D+00
      2  -0.258487D+01 -0.161660D+01  0.433931D+01  0.476942D+01 -0.906946D+00
      3  -0.125743D+01 -0.140241D+01  0.756292D+00 -0.902224D+01 -0.243871D+01
                66            67            68            69            70 
      1   0.250420D+01 -0.912180D+00  0.931404D+00 -0.820460D+00  0.163449D+01
      2   0.499302D+01 -0.135044D+01  0.726188D+00 -0.437692D+00  0.123930D+01
      3  -0.130679D+01  0.126076D+01  0.900727D+00 -0.154576D+00 -0.121378D+01
                71            72            73            74            75 
      1   0.512264D+00  0.373949D+00 -0.133952D+01  0.350980D+00  0.145377D+00
      2  -0.539455D-01  0.123582D+01 -0.976885D+00 -0.483758D-01  0.359124D-01
      3  -0.120681D+01 -0.159366D+01 -0.864461D+00  0.774045D-01  0.121652D+01
                76            77            78            79            80 
      1   0.937429D-01 -0.255333D+01  0.214242D+01  0.651337D+00  0.435461D+01
      2   0.410571D+00 -0.143497D+01  0.240294D+01 -0.239246D+01  0.870970D+00
      3   0.725313D+00 -0.270701D+00  0.157912D+01  0.133891D+01  0.207776D+01
                81            82            83            84            85 
      1  -0.113770D+02  0.157728D+01  0.954393D+00 -0.193311D+01  0.860170D+00
      2  -0.106102D+02 -0.652702D+00 -0.114715D+01  0.116348D-01 -0.111962D+01
      3  -0.146934D+01  0.581668D+01  0.483752D+01 -0.310235D+00  0.696521D+01
                86            87            88            89            90 
      1   0.349167D+01 -0.313340D+01 -0.822179D+00 -0.214522D+00 -0.203558D+00
      2  -0.171792D+01 -0.632861D+00 -0.111115D+01 -0.824841D+00 -0.771146D+00
      3   0.120008D+02  0.545046D+00 -0.977179D+00  0.109037D+00  0.183550D+01
                91            92            93            94            95 
      1   0.295674D+01  0.153354D+00 -0.175020D+01 -0.390896D+00  0.599735D+00
      2  -0.232667D+01 -0.372222D+00  0.378851D+01  0.296859D+00 -0.563353D+00
      3   0.100104D+02 -0.260755D+01 -0.179680D+01 -0.310461D+00  0.965532D+00
                96            97            98            99           100 
      1  -0.235593D+00 -0.931048D+00 -0.692586D-01  0.691203D+00 -0.205017D+00
      2  -0.167687D+00  0.662579D+00  0.434920D+00 -0.142516D+01  0.399478D+00
      3   0.103616D+01 -0.403470D+01  0.165860D+01  0.341016D+00  0.545468D-01
               101           102           103           104           105 
      1  -0.204837D+00  0.201375D+00 -0.117659D+01 -0.203687D+01 -0.466403D+01
      2   0.376160D+00 -0.681106D-01  0.483717D+00  0.270345D+01  0.394504D+01
      3   0.157008D+00 -0.170497D+00  0.157935D+01 -0.367610D+01 -0.158831D+01
               106           107           108           109           110 
      1  -0.109047D+01 -0.265901D+01 -0.620240D+01 -0.365691D+01 -0.196423D+01
      2  -0.875772D+00  0.422044D+01  0.535165D+01  0.684460D+01  0.227031D+01
      3   0.900987D+00 -0.360029D+01 -0.349162D+01  0.137767D+02  0.693235D+01
               111           112           113           114           115 
      1  -0.144611D+01 -0.226914D+01 -0.108303D+00 -0.187832D+01 -0.430143D+00
      2  -0.166863D+01  0.228188D+01  0.128039D+01 -0.279043D+00 -0.248948D+01
      3   0.154743D+01  0.862168D+01  0.341049D+01  0.425380D+00  0.704970D+00
               116           117 
      1   0.622838D+00  0.829856D+00
      2  -0.797786D+00 -0.937298D+00
      3   0.131362D+00  0.209331D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.249940D+02  0.158597D+02 -0.374179D+01  0.145372D+02  0.109003D+02
      2   0.515248D+01 -0.150346D+02  0.532545D+00 -0.132698D+02 -0.153568D+02
      3   0.198415D+02 -0.825167D+00  0.320924D+01 -0.126737D+01  0.445652D+01
      4   0.202513D+02 -0.136683D+01  0.609808D+01  0.340968D+01 -0.466328D+01
      5  -0.315964D+01  0.124838D+01  0.173537D+01  0.231635D+01 -0.522922D+01
      6   0.424368D+01 -0.392436D+01 -0.847216D+00 -0.460045D+01  0.272354D+01
                 6             7             8             9            10 
      1  -0.170118D+01 -0.643051D+01 -0.721865D+00  0.339658D+01  0.615342D+01
      2  -0.186560D+01 -0.948486D-01  0.573274D+00  0.136541D+02 -0.292190D+01
      3   0.356678D+01  0.652536D+01  0.148591D+00 -0.170507D+02 -0.323152D+01
      4  -0.465829D+01  0.101926D+02 -0.694241D+01 -0.814295D+01 -0.849274D+00
      5  -0.609234D+01  0.255236D+01 -0.624628D+01  0.121392D+02  0.778486D-01
      6   0.694139D+01 -0.269085D+01  0.573550D+01 -0.563936D+01 -0.324860D+00
                11            12            13            14            15 
      1   0.164663D+01 -0.285551D+01 -0.597080D+01  0.264621D+01 -0.487123D+01
      2  -0.306299D+01  0.199517D+01  0.369275D+01 -0.248352D+01 -0.226437D+01
      3   0.141636D+01  0.860343D+00  0.227805D+01 -0.162693D+00  0.713560D+01
      4  -0.323256D+01 -0.308065D+01 -0.108951D+02 -0.496389D+00  0.118315D+01
      5  -0.142811D+01 -0.171642D+00 -0.395316D+01  0.493200D+00  0.250762D+01
      6   0.288429D+01 -0.226466D+01  0.284611D+00  0.757403D-01 -0.101744D+02
                16            17            18            19            20 
      1   0.235225D+01 -0.236208D+01  0.790489D+01 -0.156746D+02 -0.225576D+01
      2   0.158508D+01 -0.594055D+01  0.575468D+01  0.761199D+01 -0.158666D+01
      3  -0.393732D+01  0.830263D+01 -0.136596D+02  0.806259D+01  0.384242D+01
      4  -0.439569D+01  0.529171D+01  0.806903D+01 -0.149315D+02 -0.172741D+02
      5  -0.129997D+01  0.589993D+01 -0.806536D+01  0.567207D+01  0.482291D+01
      6   0.320504D+01 -0.332637D+01  0.783624D+01 -0.737090D+00  0.267520D+00
                21            22            23            24            25 
      1   0.274591D+01 -0.144685D+02 -0.274155D+01 -0.104471D+01  0.454583D+01
      2  -0.192701D+01  0.950416D+01 -0.617896D+01 -0.602921D+01 -0.227227D+01
      3  -0.818902D+00  0.496430D+01  0.892051D+01  0.707391D+01 -0.227356D+01
      4   0.471008D+01 -0.156894D+02 -0.803515D+01 -0.674538D+00  0.762307D+01
      5  -0.117255D+02  0.813271D+01  0.149767D+00 -0.576485D+01 -0.216040D+01
      6  -0.281980D+01 -0.789838D+00  0.425315D+01 -0.582571D+01  0.112534D+01
                26            27            28            29            30 
      1  -0.131375D+01 -0.537214D+01  0.386628D+02  0.953586D+01 -0.428860D+01
      2   0.578018D+01 -0.436987D+00 -0.199566D+02  0.471434D-02  0.534512D+01
      3  -0.446644D+01  0.580913D+01 -0.187062D+02 -0.954057D+01 -0.105651D+01
      4  -0.290623D+01 -0.223225D+01  0.248198D+02  0.247587D+02 -0.448049D+01
      5  -0.231290D+00 -0.556528D-01 -0.113427D+02 -0.473553D+01  0.175867D+02
      6   0.392513D+01  0.582260D+01 -0.965589D+00 -0.116334D+01  0.524504D+01
                31            32            33            34            35 
      1   0.128053D+02  0.205436D+01  0.425123D+00 -0.432984D+01  0.967887D+00
      2  -0.314013D+01  0.109147D+02  0.170798D+01  0.388979D+01 -0.286323D+00
      3  -0.966520D+01 -0.129690D+02 -0.213310D+01  0.440054D+00 -0.681563D+00
      4   0.263260D+02  0.271610D+02 -0.449596D+01 -0.378695D+01 -0.323060D+01
      5  -0.467129D+01 -0.523114D+01  0.959733D+01  0.163280D+02  0.787353D+01
      6  -0.252316D+01 -0.229358D+01  0.903896D+01  0.434163D+01  0.737854D+01
                36            37            38            39            40 
      1   0.275923D+01 -0.148961D+02 -0.385708D+01  0.724974D+01  0.184524D+01
      2  -0.692305D+01  0.935489D+01  0.516061D+01 -0.597415D+01  0.148007D+01
      3   0.416382D+01  0.554119D+01 -0.130352D+01 -0.127559D+01 -0.332531D+01
      4   0.861803D+01 -0.757943D+01  0.725435D+01 -0.700529D+00  0.110957D+02
      5  -0.940284D+01  0.466455D+01 -0.239356D+01  0.551042D+01 -0.178152D+01
      6  -0.367822D+01  0.221781D+01 -0.263192D+01  0.156147D+01 -0.920206D+00
                41            42            43            44            45 
      1  -0.386433D+01  0.338124D+01  0.694955D+01  0.267435D+01  0.292059D+01
      2   0.136650D+02 -0.202975D+01 -0.703477D+01 -0.201703D+01 -0.623626D+01
      3  -0.980070D+01 -0.135149D+01  0.852130D-01 -0.657318D+00  0.331567D+01
      4   0.922086D+01 -0.344900D+01 -0.140176D+01 -0.856487D+01 -0.521450D+01
      5  -0.339859D+01 -0.489992D+01  0.389537D+01 -0.662422D+01 -0.497900D+01
      6  -0.835015D+01  0.380503D+00 -0.168509D+01 -0.509587D+01 -0.114882D+02
                46            47            48            49            50 
      1   0.132154D+02  0.478533D+00 -0.566300D+00  0.314835D+01 -0.555148D+01
      2  -0.707597D+01 -0.490959D+01 -0.208543D+01 -0.590283D+01  0.140675D+02
      3  -0.613940D+01  0.443106D+01  0.265173D+01  0.275447D+01 -0.851604D+01
      4  -0.169886D+02  0.154600D+02 -0.562860D+01  0.100766D+02 -0.141520D+02
      5   0.488191D+01 -0.382575D+01  0.104952D+02 -0.235342D+01  0.407610D+01
      6  -0.352211D+01  0.303166D+01 -0.517514D+01  0.127017D+01 -0.443187D+01
                51            52            53            54            55 
      1   0.244396D+01 -0.138017D+01  0.347614D+01 -0.488264D+01 -0.129129D+00
      2   0.477509D+00 -0.118146D+00 -0.226299D+01 -0.457431D+01 -0.272635D+01
      3  -0.292147D+01  0.149831D+01 -0.121315D+01  0.945696D+01  0.285547D+01
      4   0.269405D+01 -0.303699D+01  0.376638D+01 -0.658588D+01 -0.100416D+01
      5  -0.259756D+01  0.907297D+01 -0.578666D+01  0.897701D+01  0.193259D+01
      6   0.100493D+02 -0.326667D+01  0.883330D+01 -0.727252D+01 -0.235750D+01
                56            57            58            59            60 
      1  -0.765742D+00  0.206897D+01  0.975316D+00 -0.559888D+01  0.494135D+01
      2   0.522086D+00 -0.111510D+01 -0.382356D+00  0.108556D+01  0.454610D+00
      3   0.243656D+00 -0.953865D+00 -0.592960D+00  0.451332D+01 -0.539596D+01
      4   0.280619D+01 -0.126470D+01  0.347325D+01 -0.364641D+01  0.250123D+01
      5  -0.142168D+01  0.633844D+01 -0.100364D+01  0.239030D+01 -0.329945D+01
      6  -0.409027D+00  0.112158D+00  0.446716D+00 -0.621873D+01  0.972880D+01
                61            62            63            64            65 
      1   0.964549D-01  0.485552D+01 -0.167321D+02  0.437706D+02 -0.831673D+01
      2  -0.109053D+01  0.222978D+01 -0.139003D+02 -0.165972D+02 -0.550772D+00
      3   0.994073D+00 -0.708530D+01  0.306324D+02 -0.271734D+02  0.886750D+01
      4  -0.824226D+00  0.324653D+01 -0.361968D+01 -0.308145D+02  0.159517D+02
      5   0.526133D+01 -0.279899D+01  0.114834D+02 -0.861620D+00  0.708798D+00
      6  -0.124029D+01  0.773950D+01 -0.127465D+02 -0.196073D+01 -0.231997D+00
                66            67            68            69            70 
      1   0.436814D+01 -0.408894D+01  0.334055D+01 -0.261957D+00  0.746222D+01
      2  -0.106688D+01 -0.198407D+01  0.354217D+01 -0.312633D+00 -0.219392D+01
      3  -0.330126D+01  0.607300D+01 -0.688272D+01  0.574589D+00 -0.526830D+01
      4  -0.223304D+01  0.124129D+02 -0.865786D+01  0.187474D+01 -0.597528D+01
      5   0.739870D+01 -0.129320D+00  0.906008D+00 -0.501289D+00  0.740549D+01
      6  -0.436837D+01  0.602558D+00 -0.299510D+00  0.132912D+01 -0.396662D+01
                71            72            73            74            75 
      1  -0.388658D+00  0.434120D+01  0.270459D+01 -0.151681D+01 -0.295108D+01
      2  -0.141448D+01 -0.397661D+01 -0.361454D+01  0.156426D+01  0.200141D+01
      3   0.180314D+01 -0.364582D+00  0.909953D+00 -0.474508D-01  0.949669D+00
      4   0.452158D+01 -0.345806D+01 -0.204636D+01  0.654115D+00  0.970878D+00
      5  -0.134923D+01  0.224031D+01 -0.239660D+01 -0.655772D+00  0.533499D+01
      6   0.170598D+01 -0.146461D+01  0.832907D+00  0.802423D+00  0.238913D-01
                76            77            78            79            80 
      1  -0.768430D-01 -0.272572D+01  0.454230D+00 -0.266003D+01 -0.118446D+01
      2   0.285371D+00 -0.431311D+00  0.527611D+01  0.308300D+01  0.446154D+01
      3  -0.208528D+00  0.315703D+01 -0.573034D+01 -0.422961D+00 -0.327708D+01
      4   0.585977D-01  0.259721D+01 -0.230852D+01  0.195295D+01 -0.392543D+01
      5  -0.226687D+01 -0.199021D+01  0.443976D+01  0.692420D+01  0.856171D+00
      6   0.250454D+00 -0.861828D+00  0.235960D+01 -0.117970D+01  0.437122D+01
                81            82            83            84            85 
      1  -0.124968D+02 -0.258178D+01 -0.999458D+01 -0.526005D+00 -0.835179D+01
      2  -0.182462D+02  0.639144D+01  0.137353D+02  0.788209D-01  0.967182D+01
      3   0.307430D+02 -0.380966D+01 -0.374074D+01  0.447184D+00 -0.132004D+01
      4   0.152120D+01  0.253412D+01  0.290350D+01 -0.921843D+00  0.491694D+01
      5  -0.200559D+02  0.196549D+01  0.109085D+01 -0.372673D+00  0.166244D+01
      6   0.131452D+02  0.242326D+00  0.250252D+01  0.329400D+01  0.155864D+01
                86            87            88            89            90 
      1  -0.236146D+02 -0.145621D+01  0.652221D+00 -0.108681D+00 -0.441206D+01
      2   0.386135D+02  0.729730D+00 -0.367013D+00 -0.135553D+01  0.294802D+01
      3  -0.149989D+02  0.726476D+00 -0.285207D+00  0.146421D+01  0.146404D+01
      4  -0.604780D+01  0.859195D-01 -0.165133D+01  0.108345D+01  0.659306D+00
      5   0.198556D+01 -0.109465D+01  0.572281D+00 -0.482538D+00 -0.867020D+00
      6   0.538203D+01  0.605303D+01  0.234358D+01  0.621150D+01  0.713456D+00
                91            92            93            94            95 
      1   0.372068D+02  0.392400D+01 -0.588672D+01 -0.871899D+00  0.203015D+01
      2  -0.189645D+02 -0.125046D+00  0.293673D+01  0.162538D+01 -0.193761D+00
      3  -0.182423D+02 -0.379896D+01  0.294999D+01 -0.753481D+00 -0.183639D+01
      4   0.170751D+02  0.845241D+01 -0.165406D+01  0.491538D+01  0.124718D+01
      5  -0.288456D+01  0.405881D+00  0.569976D+01  0.131205D+01 -0.656540D+00
      6  -0.252762D+01  0.595409D+00  0.280844D+01  0.528149D+00 -0.125625D+00
                96            97            98            99           100 
      1   0.122047D+01 -0.878206D+01  0.695598D-01  0.332018D+01  0.132143D+01
      2  -0.930943D+00  0.581555D+01 -0.547563D+00 -0.256092D+01 -0.587166D+00
      3  -0.289529D+00  0.296651D+01  0.478003D+00 -0.759259D+00 -0.734269D+00
      4  -0.290005D+00 -0.385382D+01 -0.755588D+00  0.171058D+01  0.357942D+01
      5  -0.656162D-01  0.509679D+01  0.119698D+01 -0.237319D+01  0.225578D+01
      6   0.127936D+01  0.145955D+01  0.189836D+01 -0.101062D+01  0.252401D+01
               101           102           103           104           105 
      1   0.176408D+01  0.162574D+01  0.159673D+01 -0.724467D+01 -0.463004D+01
      2  -0.487136D+00 -0.228289D+00 -0.297186D+00  0.871085D+01  0.414964D+01
      3  -0.127694D+01 -0.139745D+01 -0.129954D+01 -0.146619D+01  0.480396D+00
      4   0.434657D+01  0.336192D+01  0.522576D+01  0.963667D+01  0.630581D+01
      5   0.301803D+01  0.299768D+01  0.322762D+01  0.675943D+01  0.833220D+01
      6   0.978338D+00  0.392511D+00  0.330175D+01  0.120883D+02  0.124573D+02
               106           107           108           109           110 
      1   0.157594D+01 -0.687618D+01 -0.937639D+01 -0.595975D+01 -0.361732D+01
      2  -0.615524D+00  0.441252D+01  0.174912D+01  0.453354D+01  0.332737D+01
      3  -0.960416D+00  0.246366D+01  0.762726D+01  0.142621D+01  0.289948D+00
      4   0.478814D+01  0.956253D+01  0.814331D+01  0.811780D+01 -0.325275D+01
      5   0.486698D+01  0.978925D+01  0.119806D+02 -0.122573D+01  0.808892D+00
      6   0.314548D+01  0.147242D+02  0.166554D+02  0.233475D+01 -0.270153D+01
               111           112           113           114           115 
      1   0.219672D+01 -0.252187D+01 -0.793791D+01  0.267007D+01  0.228552D+00
      2  -0.212532D+00  0.160168D+01  0.106602D+02 -0.250531D+01 -0.305991D+00
      3  -0.198419D+01  0.920192D+00 -0.272230D+01 -0.164758D+00  0.774381D-01
      4   0.246629D+01  0.377355D+01 -0.200041D+01  0.810798D+00  0.369265D+00
      5  -0.353826D+01 -0.491954D+00 -0.254678D+00 -0.561232D+00  0.584344D+00
      6   0.203768D+01  0.169995D+00 -0.429810D+01  0.367202D+01  0.572205D+00
               116           117 
      1   0.248333D+01 -0.289671D+01
      2  -0.206172D+01  0.122256D+01
      3  -0.421616D+00  0.167416D+01
      4  -0.114705D+01  0.531861D+00
      5   0.669711D-01 -0.144222D+01
      6   0.336039D+01 -0.322965D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x         -0.204539D+01     -0.519886D+01     -0.173415D+02
   y         -0.532799D+00     -0.135424D+01     -0.451726D+01
   z         -0.241207D+00     -0.613088D+00     -0.204504D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.553894D+02      0.820786D+01      0.913248D+01
   yx         0.207467D+01      0.307434D+00      0.342067D+00
   yy         0.536254D+02      0.794646D+01      0.884163D+01
   zx        -0.370775D+00     -0.549432D-01     -0.611326D-01
   zy        -0.208194D+01     -0.308512D+00     -0.343266D+00
   zz         0.434537D+02      0.643917D+01      0.716455D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.546168D+02      0.809337D+01      0.900509D+01
   aniso      0.124120D+02      0.183927D+01      0.204647D+01
   xx         0.590998D+02      0.875769D+01      0.974424D+01
   yx         0.216362D+01      0.320615D+00      0.356732D+00
   yy         0.574614D+02      0.851489D+01      0.947410D+01
   zx        -0.420604D+00     -0.623270D-01     -0.693482D-01
   zy        -0.235667D+01     -0.349223D+00     -0.388562D+00
   zz         0.472893D+02      0.700754D+01      0.779694D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.79452114         -2.46004239          1.55593743
     6          0.50634895         -0.77050280          1.13414793
     6          0.42959403          0.24303526         -1.58861138
     8          0.87480461         -1.05583051         -3.39401842
     7          0.50627791          1.35027491          2.92599172
     8         -0.24153940          2.67602014         -1.76390328
     1          2.21607941         -1.92159272          1.27192067
     1         -1.69942173         -3.35526120          3.41214081
     1         -3.53367694         -1.35457945          1.44456726
     1         -1.86287010         -3.93023335          0.11966351
     1         -0.42693113          0.92198369          4.53810353
     1          2.27951136          1.89426448          3.39406366
     1         -0.43128308          3.25706455         -0.00786061

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.212736D+01      0.540721D+01      0.180365D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.212736D+01      0.540721D+01      0.180365D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508228D+02      0.753117D+01      0.837955D+01
   aniso      0.122820D+02      0.182000D+01      0.202502D+01
   xx         0.433761D+02      0.642768D+01      0.715176D+01
   yx         0.369938D+00      0.548191D-01      0.609945D-01
   yy         0.531669D+02      0.787853D+01      0.876605D+01
   zx        -0.194149D+01     -0.287699D+00     -0.320109D+00
   zy         0.169820D+01      0.251647D+00      0.279995D+00
   zz         0.559254D+02      0.828729D+01      0.922085D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.546168D+02      0.809337D+01      0.900509D+01
   aniso      0.124120D+02      0.183927D+01      0.204647D+01
   xx         0.471036D+02      0.698003D+01      0.776633D+01
   yx         0.120882D+00      0.179128D-01      0.199307D-01
   yy         0.570852D+02      0.845915D+01      0.941207D+01
   zx        -0.202432D+01     -0.299974D+00     -0.333766D+00
   zy         0.180127D+01      0.266921D+00      0.296989D+00
   zz         0.596616D+02      0.884094D+01      0.983688D+01

 ----------------------------------------------------------------------
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 LIFE IS A CONTINUAL STRUGGLE AGAINST THE TENDENCY TO PRODUCE ENTROPY.
 Job cpu time:       0 days  0 hours 54 minutes  2.2 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 46.8 seconds.
 File lengths (MBytes):  RWF=    119 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 26 17:31:58 2021.
